1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)-alpha-D-mannopyranose

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Basic information

CAS: 67650-36-6
Standard SMILES: CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: WOTQVEKSRLZRSX-HEOQLGAVSA-N
Molecular formula: C28H38O19
Average molar mass: 678.6 g/mol
Monoisotopic mass: 678.20072898

Names & identifiers

Preferred name: 1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)-alpha-D-mannopyranose
IUPAC: [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Names & synonyms

DTXSID701133223I+/--D-Mannopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-I+/--D-mannopyranosyl)-, tetraacetate1,2,3,6-Tetra-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)-alpha-D-mannopyranose67650-36-6

Database identifiers

CAS: 67650-36-6
PubChem CID: 96367607
DTXSID: DTXSID701133223

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 238 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 19
Rotatable bonds: 20
Heavy atoms: 47
Formal charge: 0
Complexity: 1,200

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Compound notes

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