CID 16186574
Diphenylmethyl-5'-tgggag-3'
Structural Information
- Molecular Formula
- C73H84N27O34P5
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)C4=CC=CC=C4)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C73H84N27O34P5/c1-31-18-95(73(107)94-64(31)102)47-13-35(41(125-47)19-118-57(32-8-4-2-5-9-32)33-10-6-3-7-11-33)130-136(110,111)120-22-43-37(15-49(127-43)98-28-83-54-61(98)87-70(76)91-66(54)104)133-138(114,115)122-24-45-39(17-51(129-45)100-30-85-56-63(100)89-72(78)93-68(56)106)134-139(116,117)123-23-44-38(16-50(128-44)99-29-84-55-62(99)88-71(77)92-67(55)105)132-137(112,113)121-21-42-36(14-48(126-42)96-26-81-52-58(74)79-25-80-59(52)96)131-135(108,109)119-20-40-34(101)12-46(124-40)97-27-82-53-60(97)86-69(75)90-65(53)103/h2-11,18,25-30,34-51,57,101H,12-17,19-24H2,1H3,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H2,74,79,80)(H,94,102,107)(H3,75,86,90,103)(H3,76,87,91,104)(H3,77,88,92,105)(H3,78,89,93,106)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48?,49+,50+,51+/m0/s1
- InChIKey
- IWNCJYSFCCIFRS-HCLZPKFUSA-N
- Compound name
- [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(benzhydryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2038.4435 | 228.0 |
[M+Na]+ | 2060.4254 | 238.6 |
[M-H]- | 2036.4289 | 226.8 |
[M+NH4]+ | 2055.4700 | 231.5 |
[M+K]+ | 2076.3994 | 236.2 |
[M+H-H2O]+ | 2020.4335 | 226.3 |
[M+HCOO]- | 2082.4344 | 232.6 |
[M+CH3COO]- | 2096.4501 | 234.7 |
[M+Na-2H]- | 2058.4109 | 234.4 |
[M]+ | 2037.4357 | 238.9 |
[M]- | 2037.4367 | 238.9 |
Literature stripe
Patent stripe
No patent data available for this compound.