Basic information
- CAS
78185-83-8- Standard SMILES
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1OCc1ccccc1- InChIKey
FYUXMZUFURHCOX-WMDQAZIPSA-N- Molecular formula
- C21H24O6
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15728848
Names & identifiers
- Preferred name
- (2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
- IUPAC
- (2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
- English name
- Methyl 2-O-benzyl-4,6-O-benzylidene-α-D-mannopyranoside
- Molecular formula
- C21H24O6
- Molecular weight
- 372.42
Names & synonyms
SCHEMBL17521863Methyl 2-O-benzyl-4,6-O-benzylidene-α-D-mannopyranosidemethyl 2-O-benzyl-(R)-4,6-O-benzylidene-α-D-mannopyranosideα-D-Mannopyranoside, methyl 2-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-(2R,4aR,6S,7S,8S,8aS)-7-(benzyloxy)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-ol
Database identifiers
- CAS
78185-83-8- PubChem CID
- 10970733
- Nikkaji
- J2.786.460K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 44 · 44-46 °C
- Boiling point
- 541.1 · 541.1±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
Chemistry & industry
Suppliers5 total
金瓯生物医药（南京）有限公司13000000000 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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