ChemSpider 2D Image | pavoninin 1 | C37H59NO9

pavoninin 1

  • Molecular FormulaC37H59NO9
  • Average mass661.866 Da
  • Monoisotopic mass661.419006 Da
  • ChemSpider ID30791724

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(7α,8α,9β,14β,25R)-7-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-3-oxocholest-4-en-27-yl acetate [ACD/IUPAC Name]
(7α,8α,9β,14β,25R)-7-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]-3-oxocholest-4-en-27-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (7α,8α,9β,14β,25R)-7-[(2-acétamido-2-désoxy-β-D-glucopyranosyl)oxy]-3-oxocholest-4-én-27-yle [French] [ACD/IUPAC Name]
Cholest-4-en-3-one, 7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-26-(acetyloxy)-, (7α,8α,9β,14β,25R)- [ACD/Index Name]
pavoninin 1
94426-01-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 803.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.1±6.0 kJ/mol
Flash Point: 439.7±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1472.92
ACD/KOC (pH 5.5): 6447.34
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1472.91
ACD/KOC (pH 7.4): 6447.31
Polar Surface Area: 152 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 546.4±5.0 cm3

Click to predict properties on the Chemicalize site


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