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Search term: GJZAZGTYORSKDV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-3,5,5-Trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxo-1,3,5,7,9,11-tridecahexaen-1-yl]-3-cyclohexen-1-yl beta-D-glucopyranoside | C31H44O7

(1R)-3,5,5-Trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxo-1,3,5,7,9,11-tridecahexaen-1-yl]-3-cyclohexen-1-yl β-D-glucopyranoside

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID9988076

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-3,5,5-Trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxo-1,3,5,7,9,11-tridecahexaen-1-yl]-3-cyclohexen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R)-3,5,5-Trimethyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-trimethyl-13-oxo-1,3,5,7,9,11-tridecahexaen-1-yl]-3-cyclohexen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,4,6,8,10,12-Tridecahexaenal, 13-[(4R)-4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,7,11-trimethyl-, (2E,4E,6E,8E,10E,12E)- [ACD/Index Name]
β-D-Glucopyranoside de (1R)-3,5,5-triméthyl-4-[(1E,3E,5E,7E,9E,11E)-3,7,12-triméthyl-13-oxo-1,3,5,7,9,11-tridécahexaén-1-yl]-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
13-[(4R)-4-(β-D-Glucopyranosyloxy)-2,6,6-trimethylcyclohex-1-enyl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 227.3±26.4 °C
Index of Refraction: 1.575
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 766.26
ACD/KOC (pH 5.5): 4038.66
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 766.25
ACD/KOC (pH 7.4): 4038.64
Polar Surface Area: 116 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 452.4±5.0 cm3

Click to predict properties on the Chemicalize site


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