CID 71588995
[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl hydrogen phosphate
Structural Information
- Molecular Formula
- C130H157N65O52P12S11
- SMILES
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=O)(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(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C130H157N65O52P12S11/c131-105-92-118(157-27-144-105)183(40-170-92)79-1-53(197)67(224-79)15-212-249(200,260)239-57-5-83(187-44-174-96-109(135)148-31-161-122(96)187)228-71(57)19-216-253(204,264)243-61-9-87(191-48-178-100-113(139)152-35-165-126(100)191)232-75(61)23-220-257(208,268)246-64-12-90(194-51-181-103-116(142)155-38-168-129(103)194)233-76(64)24-219-256(207,267)242-60-8-86(190-47-177-99-112(138)151-34-164-125(99)190)229-72(60)20-215-252(203,263)238-56-4-82(186-43-173-95-108(134)147-30-160-121(95)186)225-68(56)16-211-248(198,199)236-55-3-81(185-42-172-94-107(133)146-29-159-120(94)185)226-69(55)17-213-251(202,262)240-59-7-85(189-46-176-98-111(137)150-33-163-124(98)189)230-73(59)21-217-255(206,266)244-63-11-89(193-50-180-102-115(141)154-37-167-128(102)193)234-77(63)25-221-259(210,270)247-65-13-91(195-52-182-104-117(143)156-39-169-130(104)195)235-78(65)26-222-258(209,269)245-62-10-88(192-49-179-101-114(140)153-36-166-127(101)192)231-74(62)22-218-254(205,265)241-58-6-84(188-45-175-97-110(136)149-32-162-123(97)188)227-70(58)18-214-250(201,261)237-54-2-80(223-66(54)14-196)184-41-171-93-106(132)145-28-158-119(93)184/h27-91,196-197H,1-26H2,(H,198,199)(H,200,260)(H,201,261)(H,202,262)(H,203,263)(H,204,264)(H,205,265)(H,206,266)(H,207,267)(H,208,268)(H,209,269)(H,210,270)(H2,131,144,157)(H2,132,145,158)(H2,133,146,159)(H2,134,147,160)(H2,135,148,161)(H2,136,149,162)(H2,137,150,163)(H2,138,151,164)(H2,139,152,165)(H2,140,153,166)(H2,141,154,167)(H2,142,155,168)(H2,143,156,169)
- InChIKey
- FLNIUFWZVNOKAY-UHFFFAOYSA-N
- Compound name
- [5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4184.5493 | 310.9 |
[M+Na]+ | 4206.5312 | 311.0 |
[M-H]- | 4182.5347 | 310.9 |
[M+NH4]+ | 4201.5758 | 311.0 |
[M+K]+ | 4222.5052 | 311.0 |
[M+H-H2O]+ | 4166.5393 | 310.9 |
[M+HCOO]- | 4228.5402 | 311.0 |
[M+CH3COO]- | 4242.5559 | 311.0 |
[M+Na-2H]- | 4204.5167 | 311.1 |
[M]+ | 4183.5415 | 311.0 |
[M]- | 4183.5425 | 311.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.