ChemSpider 2D Image | (1S,4S,9R,12S,13R,16S,17R)-17-(Hydroxymethyl)-12-methyl-7-oxo-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadec-5-en-17-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C32H48O14

(1S,4S,9R,12S,13R,16S,17R)-17-(Hydroxymethyl)-12-methyl-7-oxo-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-17-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC32H48O14
  • Average mass656.715 Da
  • Monoisotopic mass656.304382 Da
  • ChemSpider ID9225765

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,4S,9R,12S,13R,16S,17R)-17-(Hydroxymethyl)-12-methyl-7-oxo-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-17-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4S,9R,12S,13R,16S,17R)-17-(Hydroxymethyl)-12-methyl-7-oxo-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-17-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,4S,9R,12S,13R,16S,17R)-17-(hydroxyméthyl)-12-méthyl-7-oxo-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadéc-5-én-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 916.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.3±6.0 kJ/mol
Flash Point: 292.2±27.8 °C
Index of Refraction: 1.653
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.78
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.78
Polar Surface Area: 225 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site


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