ChemSpider 2D Image | (1S)-4-Formyl-3,5,5-trimethyl-3-cyclohexen-1-yl beta-D-glucopyranoside | C16H26O7

(1S)-4-Formyl-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside

  • Molecular FormulaC16H26O7
  • Average mass330.373 Da
  • Monoisotopic mass330.167847 Da
  • ChemSpider ID34500774

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-4-Formyl-3,5,5-trimethyl-3-cyclohexen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S)-4-Formyl-3,5,5-trimethyl-3-cyclohexen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxaldehyde, 4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-, (4S)- [ACD/Index Name]
β-D-Glucopyranoside de (1S)-4-formyl-3,5,5-triméthyl-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
(4S)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-cyclohexene-1-carbaldehyde
138-55-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 520.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 187.1±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.68
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.68
Polar Surface Area: 116 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 251.0±5.0 cm3

Click to predict properties on the Chemicalize site


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