2-Acetamido-2-deoxy-4-O-hexopyranosylhexopyranose

HCID 245

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Basic information

Standard SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChIKey: KFEUJDWYNGMDBV-UHFFFAOYSA-N
Molecular formula: C14H25NO11
Average molar mass: 383.35 g/mol
Monoisotopic mass: 383.14276061

Names & identifiers

Preferred name: 2-Acetamido-2-deoxy-4-O-hexopyranosylhexopyranose
IUPAC: N-[2,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Names & synonyms

DTXSID708656232-Acetamido-2-deoxy-4-O-hexopyranosylhexopyranoseRefChem:935394GlyTouCan:G86325GUDTXCID70814015G86325GU82535-18-0Man-?-1,4-GlcNAcSCHEMBL13211438N-[(3R,4R,5R,6R)-2,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDEN-[(3R,4R,5S,6R)-2,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDEN-[(3S,4R,5S,6R)-2,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDE

Show more names

AKOS015919228AB02556AB66238OA06652LS-14349N-[2,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamidePD041778CS-0456020

Database identifiers

PubChem CID: 245
DTXSID: DTXSID70865623

Properties

Computed structural properties

XLogP: -4.7
Topological polar surface area: 198 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 480

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