CID 16197313
D(axaxaxaxaxaxaxaxaxaxaxaxaxa)
Structural Information
- Molecular Formula
- C140H169N70O42P13S26
- SMILES
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(OC4CC(OC4COP(=S)(OC5CC(OC5COP(=S)(OC6CC(OC6COP(=S)(OC7CC(OC7COP(=S)(OC8CC(OC8COP(=S)(OC9CC(OC9COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1COP(=S)(OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)S)O
- InChI
- InChI=1S/C140H169N70O42P13S26/c141-113-99-127(169-29-155-113)197(43-183-99)85-1-57(212)72(227-85)16-213-253(266,267)241-59-3-87(199-45-185-101-115(143)157-31-171-129(101)199)229-74(59)18-215-255(270,271)243-61-5-89(201-47-187-103-117(145)159-33-173-131(103)201)231-76(61)20-217-257(274,275)245-63-7-91(203-49-189-105-119(147)161-35-175-133(105)203)233-78(63)22-219-259(278,279)247-65-9-93(205-51-191-107-121(149)163-37-177-135(107)205)235-80(65)24-221-261(282,283)249-67-11-95(207-53-193-109-123(151)165-39-179-137(109)207)237-82(67)26-223-263(286,287)251-69-13-97(209-55-195-111-125(153)167-41-181-139(111)209)239-84(69)28-225-265(290,291)252-70-14-98(210-56-196-112-126(154)168-42-182-140(112)210)238-83(70)27-224-264(288,289)250-68-12-96(208-54-194-110-124(152)166-40-180-138(110)208)236-81(68)25-222-262(284,285)248-66-10-94(206-52-192-108-122(150)164-38-178-136(108)206)234-79(66)23-220-260(280,281)246-64-8-92(204-50-190-106-120(148)162-36-176-134(106)204)232-77(64)21-218-258(276,277)244-62-6-90(202-48-188-104-118(146)160-34-174-132(104)202)230-75(62)19-216-256(272,273)242-60-4-88(200-46-186-102-116(144)158-32-172-130(102)200)228-73(60)17-214-254(268,269)240-58-2-86(226-71(58)15-211)198-44-184-100-114(142)156-30-170-128(100)198/h29-98,211-212H,1-28H2,(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H2,141,155,169)(H2,142,156,170)(H2,143,157,171)(H2,144,158,172)(H2,145,159,173)(H2,146,160,174)(H2,147,161,175)(H2,148,162,176)(H2,149,163,177)(H2,150,164,178)(H2,151,165,179)(H2,152,166,180)(H2,153,167,181)(H2,154,168,182)
- InChIKey
- ALVUORFLMWYKJS-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-[[[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-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]oxolan-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4737.2643 | 311.5 |
[M+Na]+ | 4759.2462 | 311.5 |
[M-H]- | 4735.2497 | 311.5 |
[M+NH4]+ | 4754.2908 | 311.5 |
[M+K]+ | 4775.2202 | 311.5 |
[M+H-H2O]+ | 4719.2543 | 311.5 |
[M+HCOO]- | 4781.2552 | 311.5 |
[M+CH3COO]- | 4795.2709 | 311.5 |
[M+Na-2H]- | 4757.2317 | 311.5 |
[M]+ | 4736.2565 | 311.5 |
[M]- | 4736.2575 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.