ChemSpider 2D Image | (3beta,14beta)-14-Hydroxy-20-oxopregn-5-en-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C33H52O13

(3β,14β)-14-Hydroxy-20-oxopregn-5-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC33H52O13
  • Average mass656.758 Da
  • Monoisotopic mass656.340820 Da
  • ChemSpider ID170580

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,14β)-14-Hydroxy-20-oxopregn-5-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,14β)-14-Hydroxy-20-oxopregn-5-en-3-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,14β)-14-hydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-14-hydroxy-, (3β,14β)- [ACD/Index Name]
155740-22-0 [RN]
Carumbelloside I
PREGN-5-EN-20-ONE,3-[(6-O-B-D-GLUCOPYRANOSYL-B-D-GLUCOPYRANOSYL)OXY]-14-HYDROXY-,(3B,14B)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 847.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.0±6.0 kJ/mol
Flash Point: 265.2±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.09
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.08
Polar Surface Area: 216 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


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