ChemSpider 2D Image | 5-Hydroxy-1,3,3-trimethyl-2-(3-oxo-1-buten-1-ylidene)cyclohexyl beta-D-glucopyranoside | C19H30O8

5-Hydroxy-1,3,3-trimethyl-2-(3-oxo-1-buten-1-ylidene)cyclohexyl β-D-glucopyranoside

  • Molecular FormulaC19H30O8
  • Average mass386.437 Da
  • Monoisotopic mass386.194061 Da
  • ChemSpider ID22912796

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

3-Buten-2-one, 4-[2-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethylcyclohexylidene]- [ACD/Index Name]
5-Hydroxy-1,3,3-trimethyl-2-(3-oxo-1-buten-1-yliden)cyclohexyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Hydroxy-1,3,3-trimethyl-2-(3-oxo-1-buten-1-ylidene)cyclohexyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 5-hydroxy-1,3,3-triméthyl-2-(3-oxo-1-butén-1-ylidène)cyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 211.3±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.71
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 137 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site


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