ChemSpider 2D Image | 6-Hydroxy-2,4,4-trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-yl beta-D-glucopyranoside | C19H32O8

6-Hydroxy-2,4,4-trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-yl β-D-glucopyranoside

  • Molecular FormulaC19H32O8
  • Average mass388.453 Da
  • Monoisotopic mass388.209717 Da
  • ChemSpider ID29814513

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2-Butanone, 4-[3-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]- [ACD/Index Name]
6-Hydroxy-2,4,4-trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
6-Hydroxy-2,4,4-trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 6-hydroxy-2,4,4-triméthyl-3-(3-oxobutyl)-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
4-[4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
Compound NP-017161

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 204.2±23.6 °C
Index of Refraction: 1.563
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.40
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.40
Polar Surface Area: 137 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site


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