D-Erythrose
PubChem CID: 94176
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| Compound Synonyms | D-Erythrose, 583-50-6, D-(-)-Erythrose, Erythrose, (2R,3R)-2,3,4-trihydroxybutanal, 1758-51-6, D-erythro-tetrose, Erythrose, D-, (+/-)-Erythrose, EINECS 209-505-2, D-ERYTHROSE [MI], X3EI0WE8Q4, Butanal, 2,3,4-trihydroxy-, (2R,3R)-, CHEBI:27904, Butanal, 2,3,4-trihydroxy-, (2R,3R)-rel-, 756EZ12FT6, DTXSID601318240, D-Erythrose (w/v = 10 mg/ml), DL-Erythrose, MFCD00006970, UNII-X3EI0WE8Q4, UNII-756EZ12FT6, Butanal, 2,3,4-trihydroxy-, (R*,R*)-, ERYTHROSE, DL-, SCHEMBL42624, D-erythro-tetrose, D-erythrose, DTXCID001748027, DTXSID201017424, AKOS016011079, ME00138, rel-(2R,3R)-2,3,4-Trihydroxybutanal, D-ERYTHROSE (CA. 70% IN WATER), D-Erythrose (w/v = 10 mg/ml in water), Butanal,2,3,4-trihydroxy-, (2R,3R)-, DB-007401, HY-116956, CS-0066906, NS00079893, T72661, Q423225, B1552B3E-262B-4CEF-A0A9-79C534BCEE4E, D-Erythrose - min 50% purity as a 70% aq. solution, 209-505-2, 210230-59-4 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2,3,4-trihydroxybutanal |
| Prediction Hob | 1.0 |
| Xlogp | -2.2 |
| Molecular Formula | C4H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTBSYETUWUMLBZ-IUYQGCFVSA-N |
| Fcsp3 | 0.75 |
| Logs | 0.07 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.183 |
| Compound Name | D-Erythrose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 120.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 120.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9930551999999999 |
| Inchi | InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1 |
| Smiles | C([C@H]([C@H](C=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients