ChemSpider 2D Image | Gratioside | C42H68O14

Gratioside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID141403

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1S,4R,9β,24S)-1-(β-D-Glucopyranosyloxy)-9,10,14-trimethyl-11-oxo-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-en-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,24S)-1-(β-D-Glucopyranosyloxy)-9,10,14-trimethyl-11-oxo-20,24-epoxy-4,9-cyclo-9,10-secocholest-5-en-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
11024-39-8 [RN]
Estr-5-en-11-one, 3-(β-D-glucopyranosyloxy)-17-[(2S,5S)-5-[1-(β-D-glucopyranosyloxy)-1-methylethyl]tetrahydro-2-methyl-2-furanyl]-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
Gratioside
UP4KKE36LZ
β-D-Glucopyranoside de (1S,4R,9β,24S)-1-(β-D-glucopyranosyloxy)-9,10,14-triméthyl-11-oxo-20,24-époxy-4,9-cyclo-9,10-sécocholest-5-én-25-yle [French] [ACD/IUPAC Name]
234-256-1 [EINECS]
EINECS 234-256-1
UNII:UP4KKE36LZ
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 262.9±27.8 °C
Index of Refraction: 1.604
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 104.72
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.72
Polar Surface Area: 225 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 589.1±5.0 cm3

Click to predict properties on the Chemicalize site


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