ChemSpider 2D Image | (1beta,3beta,16beta)-20-Acetyl-3-hydroxy-16,21-epoxypregna-5,20-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside | C34H50O12

(1β,3β,16β)-20-Acetyl-3-hydroxy-16,21-epoxypregna-5,20-dien-1-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID23340122

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1β,3β,16β)-20-Acetyl-3-hydroxy-16,21-epoxypregna-5,20-dien-1-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside [ACD/IUPAC Name]
(1β,3β,16β)-20-Acetyl-3-hydroxy-16,21-epoxypregna-5,20-dien-1-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside de (1β,3β,16β)-20-acétyl-3-hydroxy-16,21-époxyprégna-5,20-dién-1-yle [French] [ACD/IUPAC Name]
Ethanone, 1-[(1β,3β,16β)-1-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-16,21-epoxy-3-hydroxypregna-5,20-dien-20-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505586/
pregna-5,16-dien-1β,3β-diol 1-O-[α-L-rhamnopyranosyl-(1->2)]-α-L-arabinopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 258.6±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.26
ACD/KOC (pH 5.5): 590.89
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.26
ACD/KOC (pH 7.4): 590.89
Polar Surface Area: 185 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 458.9±5.0 cm3

Click to predict properties on the Chemicalize site


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