CID 448176
1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose
Structural Information
- Molecular Formula
- C6H15O13P3
- SMILES
- C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O
- InChI
- InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
- InChIKey
- JFMKBQDEISBIPL-KVTDHHQDSA-N
- Compound name
- [[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxyphosphoryl]methylphosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 388.97984 | 177.5 |
[M+Na]+ | 410.96178 | 177.2 |
[M-H]- | 386.96528 | 181.1 |
[M+NH4]+ | 406.00638 | 175.7 |
[M+K]+ | 426.93572 | 164.2 |
[M+H-H2O]+ | 370.96982 | 151.4 |
[M+HCOO]- | 432.97076 | 199.6 |
[M+CH3COO]- | 446.98641 | 202.2 |
[M+Na-2H]- | 408.94723 | 159.5 |
[M]+ | 387.97201 | 173.1 |
[M]- | 387.97311 | 173.1 |
Literature stripe
Patent stripe
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