Methyl 4,6-O-benzylidene-3-deoxy-3-{[hydroxy(methylimino)methyl]amino}hexopyranoside
Basic information
- CAS
52019-08-6- Standard SMILES
CNC(=O)NC1C(O)C(OC)OC2COC(c3ccccc3)OC21- InChIKey
GXPNQEGKXAHTQV-UHFFFAOYSA-N- Molecular formula
- C16H22N2O6
- Average molar mass
- 338.36 g/mol
- Monoisotopic mass
- 338.14778643
Names & identifiers
- Preferred name
- Methyl 4,6-O-benzylidene-3-deoxy-3-{[hydroxy(methylimino)methyl]amino}hexopyranoside
- IUPAC
- 1-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)-3-methylurea
Names & synonyms
52019-08-6NSC164024DTXSID40966358NSC164023NSC-164023NSC-164024Methyl 4,6-O-benzylidene-3-deoxy-3-{[hydroxy(methylimino)methyl]amino}hexopyranoside52019-13-3
Database identifiers
- CAS
52019-08-6、52019-13-3- PubChem CID
- 294883
- DTXSID
DTXSID40966358
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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