CID 16204832
S-d(cg)10g
Structural Information
- Molecular Formula
- C210H265N90O109P21S21
- SMILES
- C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C210H265N90O109P21S21/c211-121-1-11-279(201(315)245-121)132-23-79(101(369-132)45-347-411(326,432)389-78-22-142(367-99(78)43-301)290-66-234-154-166(290)256-190(222)268-178(154)304)390-413(328,434)358-56-112-90(34-144(380-112)292-68-236-156-168(292)258-192(224)270-180(156)306)401-423(338,444)349-47-103-81(25-134(371-103)281-13-3-123(213)247-203(281)317)392-415(330,436)360-58-114-92(36-146(382-114)294-70-238-158-170(294)260-194(226)272-182(158)308)403-425(340,446)351-49-105-83(27-136(373-105)283-15-5-125(215)249-205(283)319)394-417(332,438)362-60-116-94(38-148(384-116)296-72-240-160-172(296)262-196(228)274-184(160)310)405-427(342,448)353-51-107-85(29-138(375-107)285-17-7-127(217)251-207(285)321)396-419(334,440)364-62-118-96(40-150(386-118)298-74-242-162-174(298)264-198(230)276-186(162)312)407-429(344,450)355-53-109-87(31-140(377-109)287-19-9-129(219)253-209(287)323)398-421(336,442)366-64-120-98(42-152(388-120)300-76-244-164-176(300)266-200(232)278-188(164)314)409-430(345,451)356-54-110-88(32-141(378-110)288-20-10-130(220)254-210(288)324)399-420(335,441)365-63-119-97(41-151(387-119)299-75-243-163-175(299)265-199(231)277-187(163)313)408-428(343,449)354-52-108-86(30-139(376-108)286-18-8-128(218)252-208(286)322)397-418(333,439)363-61-117-95(39-149(385-117)297-73-241-161-173(297)263-197(229)275-185(161)311)406-426(341,447)352-50-106-84(28-137(374-106)284-16-6-126(216)250-206(284)320)395-416(331,437)361-59-115-93(37-147(383-115)295-71-239-159-171(295)261-195(227)273-183(159)309)404-424(339,445)350-48-104-82(26-135(372-104)282-14-4-124(214)248-204(282)318)393-414(329,435)359-57-113-91(35-145(381-113)293-69-237-157-169(293)259-193(225)271-181(157)307)402-422(337,443)348-46-102-80(24-133(370-102)280-12-2-122(212)246-202(280)316)391-412(327,433)357-55-111-89(33-143(379-111)291-67-235-155-167(291)257-191(223)269-179(155)305)400-410(325,431)346-44-100-77(302)21-131(368-100)289-65-233-153-165(289)255-189(221)267-177(153)303/h1-20,65-120,131-152,301-302H,21-64H2,(H,325,431)(H,326,432)(H,327,433)(H,328,434)(H,329,435)(H,330,436)(H,331,437)(H,332,438)(H,333,439)(H,334,440)(H,335,441)(H,336,442)(H,337,443)(H,338,444)(H,339,445)(H,340,446)(H,341,447)(H,342,448)(H,343,449)(H,344,450)(H,345,451)(H2,211,245,315)(H2,212,246,316)(H2,213,247,317)(H2,214,248,318)(H2,215,249,319)(H2,216,250,320)(H2,217,251,321)(H2,218,252,322)(H2,219,253,323)(H2,220,254,324)(H3,221,255,267,303)(H3,222,256,268,304)(H3,223,257,269,305)(H3,224,258,270,306)(H3,225,259,271,307)(H3,226,260,272,308)(H3,227,261,273,309)(H3,228,262,274,310)(H3,229,263,275,311)(H3,230,264,276,312)(H3,231,265,277,313)(H3,232,266,278,314)
- InChIKey
- XZQOXWYGAGRQAF-UHFFFAOYSA-N
- Compound name
- 2-amino-9-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 7113.6660 | 311.5 |
[M+Na]+ | 7135.6479 | 311.5 |
[M-H]- | 7111.6514 | 311.5 |
[M+NH4]+ | 7130.6925 | 311.5 |
[M+K]+ | 7151.6219 | 311.5 |
[M+H-H2O]+ | 7095.6560 | 311.5 |
[M+HCOO]- | 7157.6569 | 311.5 |
[M+CH3COO]- | 7171.6726 | 311.5 |
[M+Na-2H]- | 7133.6334 | 311.5 |
[M]+ | 7112.6582 | 311.5 |
[M]- | 7112.6592 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.