CID 16197479
Tcgt*cgctgt*ctcc
Structural Information
- Molecular Formula
- C150H207N43O76P14
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)O)OP(=O)(C)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(C)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(C)OCC8C(CC(O8)N9C=C(C(=O)N(C9=O)C)C)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)N(C1=O)C)C)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(C)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C150H207N43O76P14/c1-70-48-186(146(209)175-129(70)195)115-40-81(90(249-115)54-229-270(8,214)215)262-276(14,221)231-56-92-79(38-113(245-92)184-32-26-107(155)167-144(184)207)260-274(12,219)241-65-101-87(46-121(255-101)192-68-161-124-127(192)170-138(158)173-133(124)199)268-282(20,227)238-62-98-85(44-119(252-98)190-52-74(5)136(202)179(7)150(190)213)266-280(18,225)234-58-94-80(39-114(247-94)185-33-27-108(156)168-145(185)208)261-275(13,220)240-64-100-86(45-120(254-100)191-67-160-123-126(191)169-137(157)172-132(123)198)267-281(19,226)235-59-95-78(37-112(248-95)183-31-25-106(154)166-143(183)206)259-273(11,218)237-61-97-83(42-117(251-97)188-50-72(3)131(197)177-148(188)211)264-278(16,223)242-66-102-88(47-122(256-102)193-69-162-125-128(193)171-139(159)174-134(125)200)269-283(21,228)239-63-99-84(43-118(253-99)189-51-73(4)135(201)178(6)149(189)212)265-279(17,224)233-57-93-77(36-111(246-93)182-30-24-105(153)165-142(182)205)258-272(10,217)236-60-96-82(41-116(250-96)187-49-71(2)130(196)176-147(187)210)263-277(15,222)232-55-91-76(35-110(244-91)181-29-23-104(152)164-141(181)204)257-271(9,216)230-53-89-75(194)34-109(243-89)180-28-22-103(151)163-140(180)203/h22-33,48-52,67-69,75-102,109-122,194H,34-47,53-66H2,1-21H3,(H,214,215)(H2,151,163,203)(H2,152,164,204)(H2,153,165,205)(H2,154,166,206)(H2,155,167,207)(H2,156,168,208)(H,175,195,209)(H,176,196,210)(H,177,197,211)(H3,157,169,172,198)(H3,158,170,173,199)(H3,159,171,174,200)
- InChIKey
- LMMWEEKKIAKWJU-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-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]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-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-methylphosphinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4261.0053 | 307.5 |
[M+Na]+ | 4282.9872 | 308.4 |
[M-H]- | 4258.9907 | 307.8 |
[M+NH4]+ | 4278.0318 | 307.8 |
[M+K]+ | 4298.9612 | 307.7 |
[M+H-H2O]+ | 4242.9953 | 307.3 |
[M+HCOO]- | 4304.9962 | 307.9 |
[M+CH3COO]- | 4319.0119 | 308.0 |
[M+Na-2H]- | 4280.9727 | 309.4 |
[M]+ | 4259.9975 | 308.0 |
[M]- | 4259.9985 | 308.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.