CID 16186443
A a a a a a a a a a a a a a a, phosphodiester
Structural Information
- Molecular Formula
- C150H195N75O115P28
- SMILES
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OC4CC(OC4COP(=O)(O)OP(=O)(O)OC5CC(OC5COP(=O)(O)OP(=O)(O)OC6CC(OC6COP(=O)(O)OP(=O)(O)OC7CC(OC7COP(=O)(O)OP(=O)(O)OC8CC(OC8COP(=O)(O)OP(=O)(O)OC9CC(OC9COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(O)OC1CC(OC1COP(=O)(O)OP(=O)(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)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C150H195N75O115P28/c151-121-106-136(181-31-166-121)211(46-196-106)91-1-61(227)77(299-91)17-284-341(228,229)327-356(258,259)314-63-3-93(213-48-198-108-123(153)168-33-183-138(108)213)301-79(63)19-286-343(232,233)329-358(262,263)316-65-5-95(215-50-200-110-125(155)170-35-185-140(110)215)303-81(65)21-288-345(236,237)331-360(266,267)318-67-7-97(217-52-202-112-127(157)172-37-187-142(112)217)305-83(67)23-290-347(240,241)333-362(270,271)320-69-9-99(219-54-204-114-129(159)174-39-189-144(114)219)307-85(69)25-292-349(244,245)335-364(274,275)322-71-11-101(221-56-206-116-131(161)176-41-191-146(116)221)309-87(71)27-294-351(248,249)337-366(278,279)324-73-13-103(223-58-208-118-133(163)178-43-193-148(118)223)311-89(73)29-296-353(252,253)339-368(282,283)326-75-15-105(225-60-210-120-135(165)180-45-195-150(120)225)312-90(75)30-297-354(254,255)340-367(280,281)325-74-14-104(224-59-209-119-134(164)179-44-194-149(119)224)310-88(74)28-295-352(250,251)338-365(276,277)323-72-12-102(222-57-207-117-132(162)177-42-192-147(117)222)308-86(72)26-293-350(246,247)336-363(272,273)321-70-10-100(220-55-205-115-130(160)175-40-190-145(115)220)306-84(70)24-291-348(242,243)334-361(268,269)319-68-8-98(218-53-203-113-128(158)173-38-188-143(113)218)304-82(68)22-289-346(238,239)332-359(264,265)317-66-6-96(216-51-201-111-126(156)171-36-186-141(111)216)302-80(66)20-287-344(234,235)330-357(260,261)315-64-4-94(214-49-199-109-124(154)169-34-184-139(109)214)300-78(64)18-285-342(230,231)328-355(256,257)313-62-2-92(298-76(62)16-226)212-47-197-107-122(152)167-32-182-137(107)212/h31-105,226-227H,1-30H2,(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(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)(H2,151,166,181)(H2,152,167,182)(H2,153,168,183)(H2,154,169,184)(H2,155,170,185)(H2,156,171,186)(H2,157,172,187)(H2,158,173,188)(H2,159,174,189)(H2,160,175,190)(H2,161,176,191)(H2,162,177,192)(H2,163,178,193)(H2,164,179,194)(H2,165,180,195)
- InChIKey
- NYXJORCYHJOXPF-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-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5754.4443 | 311.5 |
[M+Na]+ | 5776.4262 | 311.5 |
[M-H]- | 5752.4297 | 311.5 |
[M+NH4]+ | 5771.4708 | 311.5 |
[M+K]+ | 5792.4002 | 311.5 |
[M+H-H2O]+ | 5736.4343 | 311.5 |
[M+HCOO]- | 5798.4352 | 311.5 |
[M+CH3COO]- | 5812.4509 | 311.5 |
[M+Na-2H]- | 5774.4117 | 311.5 |
[M]+ | 5753.4365 | 311.5 |
[M]- | 5753.4375 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.