CID 16197260
Ccmpc mpampampt mptmpcmpt mpgmpampa mpampampt
Structural Information
- Molecular Formula
- C159H211N55O73P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(C)OC4CC(OC4COP(=O)(C)OC5CC(OC5COP(=O)(C)OC6CC(OC6COP(=O)(C)OC7CC(OC7COP(=O)(C)OC8CC(OC8COP(=O)(C)OC9CC(OC9COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1COP(=O)(C)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)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/C159H211N55O73P14/c1-73-41-204(156(226)196-146(73)217)111-26-77(216)93(260-111)46-245-288(5,230)280-85-34-119(208-66-183-126-133(164)171-60-177-139(126)208)267-99(85)52-252-296(13,238)283-88-37-122(211-69-186-129-136(167)174-63-180-142(129)211)270-102(88)55-254-298(15,240)284-89-38-123(212-70-187-130-137(168)175-64-181-143(130)212)271-103(89)56-255-299(16,241)285-90-39-124(213-71-188-131-138(169)176-65-182-144(131)213)272-104(90)57-256-300(17,242)286-91-40-125(214-72-189-132-145(214)194-151(170)195-150(132)221)273-105(91)58-257-294(11,236)279-84-33-118(207-44-76(4)149(220)199-159(207)229)264-96(84)49-248-289(6,231)274-79-28-113(201-23-19-108(161)191-153(201)223)262-95(79)48-247-292(9,234)277-82-31-116(205-42-74(2)147(218)197-157(205)227)265-97(82)50-249-293(10,235)278-83-32-117(206-43-75(3)148(219)198-158(206)228)266-98(83)51-250-295(12,237)281-86-35-120(209-67-184-127-134(165)172-61-178-140(127)209)269-101(86)54-253-297(14,239)282-87-36-121(210-68-185-128-135(166)173-62-179-141(128)210)268-100(87)53-251-290(7,232)275-80-29-114(202-24-20-109(162)192-154(202)224)261-94(80)47-246-291(8,233)276-81-30-115(203-25-21-110(163)193-155(203)225)263-106(81)59-258-301(243,244)287-78-27-112(259-92(78)45-215)200-22-18-107(160)190-152(200)222/h18-25,41-44,60-72,77-106,111-125,215-216H,26-40,45-59H2,1-17H3,(H,243,244)(H2,160,190,222)(H2,161,191,223)(H2,162,192,224)(H2,163,193,225)(H2,164,171,177)(H2,165,172,178)(H2,166,173,179)(H2,167,174,180)(H2,168,175,181)(H2,169,176,182)(H,196,217,226)(H,197,218,227)(H,198,219,228)(H,199,220,229)(H3,170,194,195,221)
- InChIKey
- PZBQPKJXUCGIRK-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-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-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 4493.0888 | 309.9 |
| [M+Na]+ | 4515.0707 | 310.1 |
| [M-H]- | 4491.0742 | 309.9 |
| [M+NH4]+ | 4510.1153 | 310.0 |
| [M+K]+ | 4531.0447 | 310.0 |
| [M+H-H2O]+ | 4475.0788 | 309.8 |
| [M+HCOO]- | 4537.0797 | 310.0 |
| [M+CH3COO]- | 4551.0954 | 310.0 |
| [M+Na-2H]- | 4513.0562 | 310.4 |
| [M]+ | 4492.0810 | 310.1 |
| [M]- | 4492.0820 | 310.1 |
Literature stripe
Patent stripe
No patent data available for this compound.