ChemSpider 2D Image | Anthrose | C12H23NO6

Anthrose

  • Molecular FormulaC12H23NO6
  • Average mass277.314 Da
  • Monoisotopic mass277.152527 Da
  • ChemSpider ID26332565

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4,6-Dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-β-D-glucopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-[(3-hydroxy-3-méthylbutanoyl)amino]-2-O-méthyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
769959-88-8 [RN]
Anthrose
β-anthropyranose
β-D-Glucopyranose, 4,6-dideoxy-4-[(3-hydroxy-3-methyl-1-oxobutyl)amino]-2-O-methyl- [ACD/Index Name]
4,6-dideoxy-4-(3-hydroxy-3-methylbutanamido)-2-O-methyl-β-D-glucopyranose
4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-β-D-glucose
β-anthrose
  • Miscellaneous

    • Chemical Class:

      An amino monosaccharide consisting of <stereo>D</stereo>-glucose having a 3-hydroxy-3-methylbutanamido group at the 4-position, a 2-<element>O</element>-methyl group and lacking the 6-hydroxy group. ChEBI CHEBI:62183
      An amino monosaccharide consisting of D-glucose having a 3-hydroxy-3-methylbutanamido group at the 4-position, a 2-O-methyl group and lacking the 6-hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62183

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.93
Polar Surface Area: 108 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 221.3±5.0 cm3

Click to predict properties on the Chemicalize site


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