Basic information
- CAS
55902-93-7- Standard SMILES
COC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O- InChIKey
MYVXMYUGQJQBIV-OYDXEKDZSA-N- Molecular formula
- C28H32O6
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.21988874
Names & identifiers
- Preferred name
- Mebenoside
- IUPAC
- (3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
- English name
- Mebenoside
- Molecular formula
- C28H32O6
- Molecular weight
- 464.55
Names & synonyms
MebenosideMebenosidoMebenosidum55902-93-7Methyl 3,5,6-tri-O-benzyl-D-glucofuranosideMebenoside [INN:DCF]UNII-3852AA20EI3852AA20EIMEBENOSIDE [INN]CB 28046RefChem:156181(3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
Show more names
methyl 3,5,6-tri-O-benzylglucofuranosideMethyl 3-O,5-O,6-O-tribenzyl-D-glucofuranoside
SCHEMBL2733284CHEMBL3989484DTXSID70866519Methyl 3,5,6-tri-O-benzylhexofuranosideNS00123647Q27256743(3R,4R,5R)-4-(benzyloxy)-5-((R)-1,2-bis(benzyloxy)ethyl)-2-methoxytetrahydrofuran-3-ol
Database identifiers
- CAS
55902-93-7- PubChem CID
- 3045405
- DTXSID
DTXSID70866519- ChEMBL
CHEMBL3989484- UNII
- 3852AA20EI
- Nikkaji
- J34.153C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 609.592 · 609.592±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.209 · 1.209±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.97 · 12.970±0.70(predicted)
- FDA UNII
- 3852 AA20EI · 3852AA20EI
Chemistry & industry
Suppliers4 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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