Cytidine diphosphate ribitol
PubChem CID: 165130
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| Compound Synonyms | Cytidine diphosphate ribitol, CDP-ribitol, Cdp ribitol, 3506-17-0, CDP-L-ribitol, CDP 5-ester with D-ribitol, [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate, Cytidine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribitol, CDPribitol, V2V, SCHEMBL22098796, CHEBI:16022, DTXSID70188561, C00789, Q27098341, cytidine 5'-{3-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}, cytidine 5'-{3-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}, [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name) |
|---|---|
| Topological Polar Surface Area | 292.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 886.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate |
| Prediction Hob | 0.0 |
| Xlogp | -6.5 |
| Molecular Formula | C14H25N3O15P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPJKHFICSGCNIR-HRENORGGSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | 0.196 |
| Rotatable Bond Count | 12.0 |
| Logd | -2.911 |
| Compound Name | Cytidine diphosphate ribitol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 537.076 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 537.076 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 537.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9047021647058813 |
| Inchi | InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1 |
| Smiles | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Flavum (Plant) Rel Props:Source_db:cmaup_ingredients