ChemSpider 2D Image | (12S)-6,8,12-Trihydroxy-3-methyl-7-oxo-7,12-dihydro-1-tetraphenyl 6-deoxy-alpha-L-mannopyranoside | C25H24O9

(12S)-6,8,12-Trihydroxy-3-methyl-7-oxo-7,12-dihydro-1-tetraphenyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC25H24O9
  • Average mass468.453 Da
  • Monoisotopic mass468.142029 Da
  • ChemSpider ID62495805

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(12S)-6,8,12-Trihydroxy-3-methyl-7-oxo-7,12-dihydro-1-tetraphenyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(12S)-6,8,12-Trihydroxy-3-methyl-7-oxo-7,12-dihydro-1-tetraphenyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (12S)-6,8,12-trihydroxy-3-méthyl-7-oxo-7,12-dihydro-1-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracen-7(12H)-one, 1-[(6-deoxy-α-L-mannopyranosyl)oxy]-6,8,12-trihydroxy-3-methyl-, (12S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 782.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 271.0±26.4 °C
Index of Refraction: 1.754
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.58
ACD/KOC (pH 5.5): 680.15
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 15.20
ACD/KOC (pH 7.4): 160.07
Polar Surface Area: 157 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 295.3±3.0 cm3

Click to predict properties on the Chemicalize site


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