CID 16197650
Dmtr-tgggaggtgggt-3'
Structural Information
- Molecular Formula
- C141H167N51O77P12
- 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)OC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)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=NC2=C(N=CN=C21)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/C141H167N51O77P12/c1-56-31-181(138(205)178-119(56)194)88-19-64(193)76(246-88)34-234-270(208,209)260-68-23-92(185-48-154-101-111(185)162-130(143)170-122(101)197)250-79(68)37-240-276(220,221)266-74-29-98(191-54-160-107-117(191)168-136(149)176-128(107)203)256-85(74)43-243-277(222,223)264-70-25-94(187-50-156-103-113(187)164-132(145)172-124(103)199)251-80(70)38-237-271(210,211)258-65-20-89(182-32-57(2)120(195)179-139(182)206)247-77(65)35-235-273(214,215)262-69-24-93(186-49-155-102-112(186)163-131(144)171-123(102)198)254-83(69)41-241-279(226,227)267-73-28-97(190-53-159-106-116(190)167-135(148)175-127(106)202)253-82(73)40-239-274(216,217)261-67-22-91(184-47-153-100-109(142)151-46-152-110(100)184)249-78(67)36-236-275(218,219)263-72-27-96(189-52-158-105-115(189)166-134(147)174-126(105)201)255-84(72)42-242-280(228,229)268-75-30-99(192-55-161-108-118(192)169-137(150)177-129(108)204)257-86(75)44-244-278(224,225)265-71-26-95(188-51-157-104-114(188)165-133(146)173-125(104)200)252-81(71)39-238-272(212,213)259-66-21-90(183-33-58(3)121(196)180-140(183)207)248-87(66)45-245-281(230,231)269-141(59-9-7-6-8-10-59,60-11-15-62(232-4)16-12-60)61-13-17-63(233-5)18-14-61/h6-18,31-33,46-55,64-99,193H,19-30,34-45H2,1-5H3,(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H2,142,151,152)(H,178,194,205)(H,179,195,206)(H,180,196,207)(H3,143,162,170,197)(H3,144,163,171,198)(H3,145,164,172,199)(H3,146,165,173,200)(H3,147,166,174,201)(H3,148,167,175,202)(H3,149,168,176,203)(H3,150,169,177,204)
- InChIKey
- LHBGQYXDJMPHIE-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-[[[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-[[[bis(4-methoxyphenyl)-phenylmethoxy]-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-(6-aminopurin-9-yl)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]+ | 4178.7646 | 309.6 |
[M+Na]+ | 4200.7465 | 309.9 |
[M-H]- | 4176.7500 | 309.6 |
[M+NH4]+ | 4195.7911 | 309.7 |
[M+K]+ | 4216.7205 | 309.7 |
[M+H-H2O]+ | 4160.7546 | 309.5 |
[M+HCOO]- | 4222.7555 | 309.7 |
[M+CH3COO]- | 4236.7712 | 309.8 |
[M+Na-2H]- | 4198.7320 | 310.2 |
[M]+ | 4177.7568 | 309.8 |
[M]- | 4177.7578 | 309.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.