ChemSpider 2D Image | (3beta)-20-Oxopregn-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C33H52O11

(3β)-20-Oxopregn-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC33H52O11
  • Average mass624.759 Da
  • Monoisotopic mass624.350952 Da
  • ChemSpider ID113385446

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β)-20-Oxopregn-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-20-Oxopregn-5-en-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-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-, (3β)- [ACD/Index Name]
3-O-(Rhaa1-4Glcb)-3β-hydroxy-pregna-5,16-dien-20-one
3-O-α-L-rhamnopyranosyl-(1-4)-β-D-glucopyranosyl)-3β-hydroxy-pregna-5,16-dien-20-one
3β-(α-L-rhamnopyranosyl-(1-4)-β-D-glucopyranosyloxy)-pregna-5,16-dien-20-one
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: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 245.3±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 158.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.02
ACD/KOC (pH 5.5): 368.54
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.02
ACD/KOC (pH 7.4): 368.53
Polar Surface Area: 175 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 462.0±5.0 cm3

Click to predict properties on the Chemicalize site


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