ChemSpider 2D Image | 3,4-Di-O-acetyl-6-deoxy-1,2-O-(1-{[(11beta,17E)-11-hydroxy-3-oxopregna-4,17-dien-21-yl]oxy}ethylidene)-alpha-L-mannopyranose | C33H46O10

3,4-Di-O-acetyl-6-deoxy-1,2-O-(1-{[(11β,17E)-11-hydroxy-3-oxopregna-4,17-dien-21-yl]oxy}ethylidene)-α-L-mannopyranose

  • Molecular FormulaC33H46O10
  • Average mass602.712 Da
  • Monoisotopic mass602.309082 Da
  • ChemSpider ID28480884

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

3,4-Di-O-acetyl-6-deoxy-1,2-O-(1-{[(11β,17E)-11-hydroxy-3-oxopregna-4,17-dien-21-yl]oxy}ethylidene)-α-L-mannopyranose [ACD/IUPAC Name]
3,4-Di-O-acetyl-6-desoxy-1,2-O-(1-{[(11β,17E)-11-hydroxy-3-oxopregna-4,17-dien-21-yl]oxy}ethyliden)-α-L-mannopyranose [German] [ACD/IUPAC Name]
3,4-Di-O-acétyl-6-désoxy-1,2-O-(1-{[(11β,17E)-11-hydroxy-3-oxoprégna-4,17-dién-21-yl]oxy}éthylidène)-α-L-mannopyranose [French] [ACD/IUPAC Name]
α-L-Mannopyranose, 6-deoxy-1,2-O-[1-[[(11β,17E)-11-hydroxy-3-oxopregna-4,17-dien-21-yl]oxy]ethylidene]-, diacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 686.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 212.4±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1793.72
ACD/KOC (pH 5.5): 7423.94
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1793.72
ACD/KOC (pH 7.4): 7423.94
Polar Surface Area: 127 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 471.3±5.0 cm3

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