CID 16131505
Dgtgggtgggtgggt
Structural Information
- Molecular Formula
- C140H174N58O89P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)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/C140H174N58O89P14/c1-47-19-185(137(214)181-113(47)200)79-5-51(199)65(261-79)23-248-289(221,222)279-56-10-84(190-38-152-94-104(190)162-128(142)172-118(94)205)266-70(56)28-255-296(235,236)285-62-16-90(196-44-158-100-110(196)168-134(148)178-124(100)211)272-76(62)34-258-297(237,238)283-60-14-88(194-42-156-98-108(194)166-132(146)176-122(98)209)268-72(60)30-253-291(225,226)276-53-7-81(187-21-49(3)115(202)183-139(187)216)263-68(53)26-250-294(231,232)281-58-12-86(192-40-154-96-106(192)164-130(144)174-120(96)207)271-75(58)33-257-301(245,246)287-64-18-92(198-46-160-102-112(198)170-136(150)180-126(102)213)274-78(64)36-260-299(241,242)284-61-15-89(195-43-157-99-109(195)167-133(147)177-123(99)210)269-73(61)31-254-292(227,228)277-54-8-82(188-22-50(4)116(203)184-140(188)217)264-69(54)27-251-295(233,234)280-57-11-85(191-39-153-95-105(191)163-129(143)173-119(95)206)270-74(57)32-256-300(243,244)286-63-17-91(197-45-159-101-111(197)169-135(149)179-125(101)212)273-77(63)35-259-298(239,240)282-59-13-87(193-41-155-97-107(193)165-131(145)175-121(97)208)267-71(59)29-252-290(223,224)275-52-6-80(186-20-48(2)114(201)182-138(186)215)262-67(52)25-249-293(229,230)278-55-9-83(265-66(55)24-247-288(218,219)220)189-37-151-93-103(189)161-127(141)171-117(93)204/h19-22,37-46,51-92,199H,5-18,23-36H2,1-4H3,(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,181,200,214)(H,182,201,215)(H,183,202,216)(H,184,203,217)(H2,218,219,220)(H3,141,161,171,204)(H3,142,162,172,205)(H3,143,163,173,206)(H3,144,164,174,207)(H3,145,165,175,208)(H3,146,166,176,209)(H3,147,167,177,210)(H3,148,168,178,211)(H3,149,169,179,212)(H3,150,170,180,213)
- InChIKey
- GPJZRQREJQEDMJ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4525.7270 | 311.4 |
[M+Na]+ | 4547.7089 | 311.5 |
[M-H]- | 4523.7124 | 311.4 |
[M+NH4]+ | 4542.7535 | 311.4 |
[M+K]+ | 4563.6829 | 311.4 |
[M+H-H2O]+ | 4507.7170 | 311.4 |
[M+HCOO]- | 4569.7179 | 311.4 |
[M+CH3COO]- | 4583.7336 | 311.4 |
[M+Na-2H]- | 4545.6944 | 311.5 |
[M]+ | 4524.7192 | 311.5 |
[M]- | 4524.7202 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.