CID 16220150
S-anti-g/p-1
Structural Information
- Molecular Formula
- C271H347N92O142P27S27
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=S)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OC[C@@H]7[C@H](C[C@@H](O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)O)S
- InChI
- InChI=1S/C271H347N92O142P27S27/c1-111-57-345(262(387)326-239(111)366)195-30-122(149(67-364)451-195)479-507(398,534)425-69-151-123(31-187(453-151)337-21-12-178(273)314-254(337)379)483-512(403,539)434-79-161-135(43-200(463-161)350-62-116(6)244(371)331-267(350)392)492-519(410,546)438-82-164-133(41-198(466-164)348-60-114(4)242(369)329-265(348)390)490-517(408,544)429-73-155-125(33-189(457-155)339-23-14-180(275)316-256(339)381)481-509(400,536)426-70-152-124(32-188(454-152)338-22-13-179(274)315-255(338)380)480-508(399,535)427-71-153-127(35-191(455-153)341-25-16-182(277)318-258(341)383)484-513(404,540)436-80-162-137(45-202(464-162)352-64-118(8)246(373)333-269(352)394)494-521(412,548)442-86-168-141(49-206(470-168)356-103-305-215-224(282)291-96-298-231(215)356)498-527(418,554)445-89-171-144(52-209(473-171)359-106-308-218-227(285)294-99-301-234(218)359)500-529(420,556)447-91-173-146(54-211(475-173)361-108-310-220-229(287)296-101-303-236(220)361)502-531(422,558)448-92-174-145(53-210(476-174)360-107-309-219-228(286)295-100-302-235(219)360)501-530(421,557)446-90-172-143(51-208(474-172)358-105-307-217-226(284)293-98-300-233(217)358)499-528(419,555)444-88-170-140(48-205(472-170)355-102-304-214-223(281)290-95-297-230(214)355)497-525(416,552)440-84-166-136(44-201(468-166)351-63-117(7)245(372)332-268(351)393)493-520(411,547)439-83-165-139(47-204(467-165)354-66-120(10)248(375)335-271(354)396)495-522(413,549)443-87-169-142(50-207(471-169)357-104-306-216-225(283)292-97-299-232(216)357)503-532(423,559)450-94-176-147(55-212(478-176)362-109-311-221-237(362)322-251(288)324-249(221)376)504-524(415,551)432-76-158-126(34-190(460-158)340-24-15-181(276)317-257(340)382)482-510(401,537)428-72-154-128(36-192(456-154)342-26-17-183(278)319-259(342)384)485-514(405,541)437-81-163-138(46-203(465-163)353-65-119(9)247(374)334-270(353)395)496-523(414,550)449-93-175-148(56-213(477-175)363-110-312-222-238(363)323-252(289)325-250(222)377)505-526(417,553)441-85-167-134(42-199(469-167)349-61-115(5)243(370)330-266(349)391)491-518(409,545)431-75-157-130(38-194(459-157)344-28-19-185(280)321-261(344)386)487-515(406,542)435-78-160-132(40-197(462-160)347-59-113(3)241(368)328-264(347)389)489-516(407,543)430-74-156-129(37-193(458-156)343-27-18-184(279)320-260(343)385)486-511(402,538)433-77-159-131(39-196(461-159)346-58-112(2)240(367)327-263(346)388)488-506(397,533)424-68-150-121(365)29-186(452-150)336-20-11-177(272)313-253(336)378/h11-28,57-66,95-110,121-176,186-213,364-365H,29-56,67-94H2,1-10H3,(H,397,533)(H,398,534)(H,399,535)(H,400,536)(H,401,537)(H,402,538)(H,403,539)(H,404,540)(H,405,541)(H,406,542)(H,407,543)(H,408,544)(H,409,545)(H,410,546)(H,411,547)(H,412,548)(H,413,549)(H,414,550)(H,415,551)(H,416,552)(H,417,553)(H,418,554)(H,419,555)(H,420,556)(H,421,557)(H,422,558)(H,423,559)(H2,272,313,378)(H2,273,314,379)(H2,274,315,380)(H2,275,316,381)(H2,276,317,382)(H2,277,318,383)(H2,278,319,384)(H2,279,320,385)(H2,280,321,386)(H2,281,290,297)(H2,282,291,298)(H2,283,292,299)(H2,284,293,300)(H2,285,294,301)(H2,286,295,302)(H2,287,296,303)(H,326,366,387)(H,327,367,388)(H,328,368,389)(H,329,369,390)(H,330,370,391)(H,331,371,392)(H,332,372,393)(H,333,373,394)(H,334,374,395)(H,335,375,396)(H3,288,322,324,376)(H3,289,323,325,377)/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,506?,507?,508?,509?,510?,511?,512?,513?,514?,515?,516?,517?,518?,519?,520?,521?,522?,523?,524?,525?,526?,527?,528?,529?,530?,531?,532?/m0/s1
- InChIKey
- DPWAXLURXBISOJ-WTYYXKTOSA-N
- Compound name
- 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 8861.8203 | 311.5 |
[M+Na]+ | 8883.8022 | 311.5 |
[M-H]- | 8859.8057 | 311.5 |
[M+NH4]+ | 8878.8468 | 311.5 |
[M+K]+ | 8899.7762 | 311.5 |
[M+H-H2O]+ | 8843.8103 | 311.5 |
[M+HCOO]- | 8905.8112 | 311.5 |
[M+CH3COO]- | 8919.8269 | 311.5 |
[M+Na-2H]- | 8881.7877 | 311.5 |
[M]+ | 8860.8125 | 311.5 |
[M]- | 8860.8135 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.