ChemSpider 2D Image | (3beta,14beta)-Pregna-5,20-dien-3-yl 4,6-di-O-acetyl-beta-D-glucopyranoside | C31H46O8

(3β,14β)-Pregna-5,20-dien-3-yl 4,6-di-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC31H46O8
  • Average mass546.692 Da
  • Monoisotopic mass546.319275 Da
  • ChemSpider ID40256891

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,14β)-Pregna-5,20-dien-3-yl 4,6-di-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,14β)-Pregna-5,20-dien-3-yl-4,6-di-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-Di-O-acétyl-β-D-glucopyranoside de (3β,14β)-prégna-5,20-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,14β)-pregna-5,20-dien-3-yl, 4,6-diacetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 193.7±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10808.92
ACD/KOC (pH 5.5): 26851.61
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10808.82
ACD/KOC (pH 7.4): 26851.35
Polar Surface Area: 112 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

Click to predict properties on the Chemicalize site


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