ChemSpider 2D Image | Spongipregnoloside B | C33H50O11

Spongipregnoloside B

  • Molecular FormulaC33H50O11
  • Average mass622.744 Da
  • Monoisotopic mass622.335327 Da
  • ChemSpider ID9988840

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β)-20-Oxopregna-5,16-dien-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-20-Oxopregna-5,16-dien-3-yl-4-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β)-20-oxoprégna-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Pregna-5,16-dien-20-one, 3-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-, (3β)- [ACD/Index Name]
Spongipregnoloside B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 250.6±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.64
ACD/KOC (pH 5.5): 334.83
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.64
ACD/KOC (pH 7.4): 334.83
Polar Surface Area: 175 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 454.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement