CID 16186589
5'-dbb-d[tttttt]-3'
Structural Information
- Molecular Formula
- C81H97N12O42P5
- 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(OC7COCC8=CC(=C(C=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C81H97N12O42P5/c1-41-26-88(76(101)82-70(41)95)64-20-50(94)58(125-64)36-120-136(107,108)132-54-22-66(90-28-43(3)72(97)84-78(90)103)127-60(54)38-122-138(111,112)134-56-24-68(92-30-45(5)74(99)86-80(92)105)129-62(56)40-124-140(115,116)135-57-25-69(93-31-46(6)75(100)87-81(93)106)130-63(57)39-123-139(113,114)133-55-23-67(91-29-44(4)73(98)85-79(91)104)128-61(55)37-121-137(109,110)131-53-21-65(89-27-42(2)71(96)83-77(89)102)126-59(53)35-117-32-49-17-18-51(118-33-47-13-9-7-10-14-47)52(19-49)119-34-48-15-11-8-12-16-48/h7-19,26-31,50,53-69,94H,20-25,32-40H2,1-6H3,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,82,95,101)(H,83,96,102)(H,84,97,103)(H,85,98,104)(H,86,99,105)(H,87,100,106)
- InChIKey
- IFZVYAHEXDWFGC-UHFFFAOYSA-N
- Compound name
- [2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-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]+ | 2065.4585 | 277.7 |
[M+Na]+ | 2087.4404 | 291.5 |
[M-H]- | 2063.4439 | 287.4 |
[M+NH4]+ | 2082.4850 | 284.1 |
[M+K]+ | 2103.4144 | 282.0 |
[M+H-H2O]+ | 2047.4485 | 275.4 |
[M+HCOO]- | 2109.4494 | 284.3 |
[M+CH3COO]- | 2123.4651 | 285.7 |
[M+Na-2H]- | 2085.4259 | 290.8 |
[M]+ | 2064.4507 | 287.0 |
[M]- | 2064.4517 | 287.0 |
Literature stripe
Patent stripe
No patent data available for this compound.