Basic information
- CAS
14855-31-3- Standard SMILES
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCc1ccccc1- InChIKey
IYODMICTBRMKGJ-UHFFFAOYSA-N- Molecular formula
- C22H27NO6
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.18383758
Names & identifiers
- Preferred name
- N-[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
- IUPAC
- N-[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
- English name
- 1,3-O-Dibenzyl-N-acetyl-β-D-glucosaMine
- Molecular formula
- C22H27NO6
- Molecular weight
- 401.45
Names & synonyms
1093406-57-5N-[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide14855-31-3N-[2,4-BIS(BENZYLOXY)-5-HYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ACETAMIDEF1206-0036Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-alpha-D-GlucopyranosideNSC231918DTXSID10310809HMS1652L02STL558255AKOS002160798AKOS016286692
Show more names
1,3-O-Dibenzyl-N-acetyl-β-D-glucosamine1,3-O-Dibenzyl-N-acetyl-Beta-D-glucosamine1,3-O-Dibenzyl-N-acetyl-β-D-glucosamine, CAS 14855-31-3
NSC-231918ST50031930SR-01000010774Benzyl 2-acetamido-3-O-benzyl-2-deoxyhexopyranosideSR-01000010774-1benzyl 2-(acetylamino)-3-O-benzyl-2-deoxyhexopyranosideN-(2,4-bis(benzyloxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamideN-[2,4-bis(phenylmethoxy)-5-hydroxy-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyr an-3-yl]acetamide
Database identifiers
- CAS
14855-31-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 180 · 180-181 °C
- Boiling point
- 642.7 · 642.7±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- solubility
- Methanol
- pka
- 12.95 · 12.95±0.70(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses1,3-O-Dibenzyl-N-acetyl-β-D-glucosaMine can be used in preparation of fluorinated glucosamine analogs that inhibit cell migration and inflammation.
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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