D-Apiose
PubChem CID: 5460157
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| Compound Synonyms | D-Apiose, 3-C-Hydroxymethyltetrose, aldehydo-D-apiose, 639-97-4, D-Api, E59T26TCEC, 3-C-(hydroxymethyl)-D-glycero-tetrose, (2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanal, APIOSE [MI], D-apiose (ringopen form), APIOSE, D-, SCHEMBL313602, CHEBI:16689, DTXSID60980819, DB-229828, 3-C-(HYDROXYMETHYL)-D-ERYTHRO-TETROSE, C01488, F81523, Q27102026 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanal |
| Prediction Hob | 1.0 |
| Xlogp | -3.1 |
| Molecular Formula | C5H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVGPOAXYRRIZMM-BYPYZUCNSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.413 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.841 |
| Compound Name | D-Apiose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.420994 |
| Inchi | InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1 |
| Smiles | C(C(CO)([C@H](C=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zostera Marina (Plant) Rel Props:Source_db:cmaup_ingredients