ChemSpider 2D Image | (3S)-8-Methoxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-11-tetraphenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C34H34O14

(3S)-8-Methoxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-11-tetraphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID9236516

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-8-Methoxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-11-tetraphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3S)-8-Methoxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-11-tetraphenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (3S)-8-méthoxy-3-méthyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-11-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-8-methoxy-3-methyl-11-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 314.9±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1844.02
ACD/KOC (pH 5.5): 7572.39
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1844.02
ACD/KOC (pH 7.4): 7572.39
Polar Surface Area: 184 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 470.8±5.0 cm3

Click to predict properties on the Chemicalize site


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