CID 71588996
[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-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]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]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate
Structural Information
- Molecular Formula
- C130H158N65O67P13S12
- 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(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C130H158N65O67P13S12/c131-118-157-92-79(105(197)170-118)144-27-183(92)66-1-40(196)53(238-66)14-226-264(213,276)252-42-3-68(185-29-146-81-94(185)159-120(133)172-107(81)199)240-55(42)16-228-266(215,278)254-44-5-70(187-31-148-83-96(187)161-122(135)174-109(83)201)242-57(44)18-230-268(217,280)256-46-7-72(189-33-150-85-98(189)163-124(137)176-111(85)203)244-59(46)20-232-270(219,282)258-48-9-74(191-35-152-87-100(191)165-126(139)178-113(87)205)246-61(48)22-234-272(221,284)260-50-11-76(193-37-154-89-102(193)167-128(141)180-115(89)207)248-63(50)24-236-274(223,286)262-52-13-78(195-39-156-91-104(195)169-130(143)182-117(91)209)250-65(52)26-237-275(224,287)261-51-12-77(194-38-155-90-103(194)168-129(142)181-116(90)208)249-64(51)25-235-273(222,285)259-49-10-75(192-36-153-88-101(192)166-127(140)179-114(88)206)247-62(49)23-233-271(220,283)257-47-8-73(190-34-151-86-99(190)164-125(138)177-112(86)204)245-60(47)21-231-269(218,281)255-45-6-71(188-32-149-84-97(188)162-123(136)175-110(84)202)243-58(45)19-229-267(216,279)253-43-4-69(186-30-147-82-95(186)160-121(134)173-108(82)200)241-56(43)17-227-265(214,277)251-41-2-67(239-54(41)15-225-263(210,211)212)184-28-145-80-93(184)158-119(132)171-106(80)198/h27-78,196H,1-26H2,(H,213,276)(H,214,277)(H,215,278)(H,216,279)(H,217,280)(H,218,281)(H,219,282)(H,220,283)(H,221,284)(H,222,285)(H,223,286)(H,224,287)(H2,210,211,212)(H3,131,157,170,197)(H3,132,158,171,198)(H3,133,159,172,199)(H3,134,160,173,200)(H3,135,161,174,201)(H3,136,162,175,202)(H3,137,163,176,203)(H3,138,164,177,204)(H3,139,165,178,205)(H3,140,166,179,206)(H3,141,167,180,207)(H3,142,168,181,208)(H3,143,169,182,209)
- InChIKey
- CERJDMXGOUDWRI-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-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]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]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4488.4267 | 311.4 |
[M+Na]+ | 4510.4086 | 311.4 |
[M-H]- | 4486.4121 | 311.4 |
[M+NH4]+ | 4505.4532 | 311.4 |
[M+K]+ | 4526.3826 | 311.4 |
[M+H-H2O]+ | 4470.4167 | 311.4 |
[M+HCOO]- | 4532.4176 | 311.4 |
[M+CH3COO]- | 4546.4333 | 311.4 |
[M+Na-2H]- | 4508.3941 | 311.4 |
[M]+ | 4487.4189 | 311.4 |
[M]- | 4487.4199 | 311.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.