ChemSpider 2D Image | (3beta,13alpha)-5-Methyl-7-oxopimara-8(14),15-dien-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C33H52O11

(3β,13α)-5-Methyl-7-oxopimara-8(14),15-dien-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC33H52O11
  • Average mass624.759 Da
  • Monoisotopic mass624.350952 Da
  • ChemSpider ID24711579

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,13α)-5-Methyl-7-oxopimara-8(14),15-dien-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,13α)-5-Methyl-7-oxopimara-8(14),15-dien-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,13α)-5-méthyl-7-oxopimara-8(14),15-dién-3-yle [French] [ACD/IUPAC Name]
9(1H)-Phenanthrenone, 2-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-1,1,4a,7,10a-pentamethyl-, (2S,4aR,4bR,7R,10aR)- [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: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 236.0±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.94
ACD/KOC (pH 5.5): 2351.54
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.93
ACD/KOC (pH 7.4): 2351.52
Polar Surface Area: 175 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 475.1±5.0 cm3

Click to predict properties on the Chemicalize site


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