Methyl 6-amino-6-deoxy-2,3,4-tracetate-D-glucopyranoside
Basic information
- CAS
715649-25-5- Standard SMILES
COC1OC(CN)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
VYDBDCQBZQQWCJ-UHFFFAOYSA-N- Molecular formula
- C13H21NO8
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.12671663
Names & identifiers
- Preferred name
- Methyl 6-amino-6-deoxy-2,3,4-tracetate-D-glucopyranoside
- IUPAC
- [4,5-diacetyloxy-2-(aminomethyl)-6-methoxyoxan-3-yl] acetate
- English name
- Methyl 6-amino-6-deoxy-2,3,4-tracetate-D-glucopyranoside
- Molecular formula
- C13H21NO8
- Molecular weight
- 319.31
Names & synonyms
715649-25-5Methyl 6-amino-6-deoxy-2,3,4-tracetate-D-glucopyranosideSCHEMBL20307037DTXSID70673720AKOS015961722AC-14935Methyl 2,3,4-tri-O-acetyl-6-amino-6-deoxyhexopyranoside[4,5-diacetyloxy-2-(aminomethyl)-6-methoxyoxan-3-yl] acetateα-D-Glucopyranoside, methyl 6-amino-6-deoxy-, 2,3,4-triacetate
Database identifiers
- CAS
715649-25-5- PubChem CID
- 46705341
- DTXSID
DTXSID70673720
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 381.4 · 381.4±42.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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