Basic information
- CAS
30608-02-7- Standard SMILES
O=C[C@H]1OC(c2ccccc2)O[C@@H](CO)[C@H]1O- InChIKey
MLCKHSIBLXIZKN-FEZOTEKNSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- (4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxane-4-carbaldehyde
- IUPAC
- (4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxane-4-carbaldehyde
- English name
- 2,4-O-Benzylidene-L-xylose
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
2,4-O-Benzylidene-L-xylose30608-02-7(4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxane-4-carbaldehyde2,4-O-(Phenylmethylene)-L-xylose2,4-O-BenzylidenepentoseSCHEMBL9809652DTXSID60952879DB-2231262,4-benzylidene-L-xyloseL-Xylose, 2,4-O-(phenylmethylene)-Theophylline-ethylenediamine Impurity 2-13C4, 15N3
Database identifiers
- CAS
30608-02-7- PubChem CID
- 147359
- DTXSID
DTXSID60952879
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 458.1 · 458.1±45.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 12.74 · 12.74±0.70(Predicted)
Chemistry & industry
Suppliers6 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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