dTDP-alpha-L-rhamnose
PubChem CID: 101989498
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | dTDP-alpha-L-rhamnose, dTDP-6-deoxy-alpha-L-mannose, CHEBI:133429, thymidine 5'-[3-(6-deoxy-alpha-L-mannopyranosyl) dihydrogen diphosphate] |
|---|---|
| Topological Polar Surface Area | 251.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 961.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -4.8 |
| Is Pains | False |
| Molecular Formula | C16H26N2O15P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOSQFDVXNQFKBY-GPNJKSCQSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 8.0 |
| Compound Name | dTDP-alpha-L-rhamnose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.081 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 548.081 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 548.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2383093428571448 |
| Inchi | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients