ChemSpider 2D Image | (3beta)-17-Oxoandrost-5-en-3-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside | C39H52O13

(3β)-17-Oxoandrost-5-en-3-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside

  • Molecular FormulaC39H52O13
  • Average mass728.822 Da
  • Monoisotopic mass728.340820 Da
  • ChemSpider ID8827869

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β)-17-Oxoandrost-5-en-3-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β)-17-Oxoandrost-5-en-3-yl-2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3-O-[2-O-(4-méthoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranoside de (3β)-17-oxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-en-17-one, 3-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-, (3β)- [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: 841.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 254.7±27.8 °C
Index of Refraction: 1.600
Molar Refractivity: 183.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2846.57
ACD/KOC (pH 5.5): 10332.33
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2846.54
ACD/KOC (pH 7.4): 10332.22
Polar Surface Area: 177 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 537.2±5.0 cm3

Click to predict properties on the Chemicalize site


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