Methyl 3-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-deoxyhexopyranoside

HCID 258657

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Basic information

CAS: 83904-91-0
Standard SMILES: COC1OC(CO)C(O)C(NC(=O)CNC(=O)OCc2ccccc2)C1O
InChIKey: IDQIBTHJGXCMII-UHFFFAOYSA-N
Molecular formula: C17H24N2O8
Average molar mass: 384.4 g/mol
Monoisotopic mass: 384.15326573

Names & identifiers

Preferred name: Methyl 3-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-deoxyhexopyranoside
IUPAC: benzyl N-[2-[[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]amino]-2-oxoethyl]carbamate

Names & synonyms

83904-91-0NSC87914methyl 3-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-deoxyhexopyranosideDTXSID60293219NSC-87914Methyl 3-(2-{[(benzyloxy)carbonyl]amino}acetamido)-3-deoxyhexopyranoside

Database identifiers

CAS: 83904-91-0
PubChem CID: 258657
DTXSID: DTXSID60293219

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 147 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 486

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