CID 16131491

Dgtggtgggtgggtgggtggtgggtggt

Structural Information

Molecular Formula
C270H334N111O171P27
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C270H334N111O171P27/c1-90-36-355(263(410)347-217(90)383)152-9-98(382)125(500-152)44-474-554(421,422)535-107-18-161(364-72-291-180-199(364)310-245(272)329-226(180)392)509-134(107)53-489-569(451,452)542-114-25-168(371-79-298-187-206(371)317-252(279)336-233(187)399)510-135(114)54-483-556(425,426)528-100-11-154(357-38-92(3)219(385)349-265(357)412)502-128(100)47-478-565(443,444)538-110-21-164(367-75-294-183-202(367)313-248(275)332-229(183)395)519-144(110)63-492-576(465,466)549-121-32-175(378-86-305-194-213(378)324-259(286)343-240(194)406)523-148(121)67-496-572(457,458)546-118-29-172(375-83-302-191-210(375)321-256(283)340-237(191)403)514-139(118)58-486-559(431,432)531-103-14-157(360-41-95(6)222(388)352-268(360)415)504-130(103)49-477-564(441,442)537-109-20-163(366-74-293-182-201(366)312-247(274)331-228(182)394)518-143(109)62-491-571(455,456)544-116-27-170(373-81-300-189-208(373)319-254(281)338-235(189)401)512-137(116)56-484-557(427,428)529-101-12-155(358-39-93(4)220(386)350-266(358)413)505-131(101)50-479-566(445,446)539-111-22-165(368-76-295-184-203(368)314-249(276)333-230(184)396)520-145(111)64-493-577(467,468)550-122-33-176(379-87-306-195-214(379)325-260(287)344-241(195)407)525-150(122)69-498-574(461,462)547-119-30-173(376-84-303-192-211(376)322-257(284)341-238(192)404)515-140(119)59-487-560(433,434)532-104-15-158(361-42-96(7)223(389)353-269(361)416)507-133(104)52-481-568(449,450)541-113-24-167(370-78-297-186-205(370)316-251(278)335-232(186)398)522-147(113)66-495-579(471,472)552-124-35-178(381-89-308-197-216(381)327-262(289)346-243(197)409)526-151(124)70-499-575(463,464)548-120-31-174(377-85-304-193-212(377)323-258(285)342-239(193)405)516-141(120)60-488-561(435,436)533-105-16-159(362-43-97(8)224(390)354-270(362)417)506-132(105)51-480-567(447,448)540-112-23-166(369-77-296-185-204(369)315-250(277)334-231(185)397)521-146(112)65-494-578(469,470)551-123-34-177(380-88-307-196-215(380)326-261(288)345-242(196)408)524-149(123)68-497-573(459,460)545-117-28-171(374-82-301-190-209(374)320-255(282)339-236(190)402)513-138(117)57-485-558(429,430)530-102-13-156(359-40-94(5)221(387)351-267(359)414)503-129(102)48-476-563(439,440)536-108-19-162(365-73-292-181-200(365)311-246(273)330-227(181)393)517-142(108)61-490-570(453,454)543-115-26-169(372-80-299-188-207(372)318-253(280)337-234(188)400)511-136(115)55-482-555(423,424)527-99-10-153(356-37-91(2)218(384)348-264(356)411)501-127(99)46-475-562(437,438)534-106-17-160(508-126(106)45-473-553(418,419)420)363-71-290-179-198(363)309-244(271)328-225(179)391/h36-43,71-89,98-178,382H,9-35,44-70H2,1-8H3,(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H,435,436)(H,437,438)(H,439,440)(H,441,442)(H,443,444)(H,445,446)(H,447,448)(H,449,450)(H,451,452)(H,453,454)(H,455,456)(H,457,458)(H,459,460)(H,461,462)(H,463,464)(H,465,466)(H,467,468)(H,469,470)(H,471,472)(H,347,383,410)(H,348,384,411)(H,349,385,412)(H,350,386,413)(H,351,387,414)(H,352,388,415)(H,353,389,416)(H,354,390,417)(H2,418,419,420)(H3,271,309,328,391)(H3,272,310,329,392)(H3,273,311,330,393)(H3,274,312,331,394)(H3,275,313,332,395)(H3,276,314,333,396)(H3,277,315,334,397)(H3,278,316,335,398)(H3,279,317,336,399)(H3,280,318,337,400)(H3,281,319,338,401)(H3,282,320,339,402)(H3,283,321,340,403)(H3,284,322,341,404)(H3,285,323,342,405)(H3,286,324,343,406)(H3,287,325,344,407)(H3,288,326,345,408)(H3,289,327,346,409)
InChIKey
WWDUHFGCRUYZFM-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

8702.377 Da
Monoisotopic Mass

-59.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 8703.3843 311.5
[M+Na]+ 8725.3662 311.5
[M-H]- 8701.3697 311.5
[M+NH4]+ 8720.4108 311.5
[M+K]+ 8741.3402 311.5
[M+H-H2O]+ 8685.3743 311.5
[M+HCOO]- 8747.3752 311.5
[M+CH3COO]- 8761.3909 311.5
[M+Na-2H]- 8723.3517 311.5
[M]+ 8702.3765 311.5
[M]- 8702.3775 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.