ChemSpider 2D Image | (3E)-20-Hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside | C46H66O7

(3E)-20-Hydroxy-3,4-didehydro-1',2'-dihydro-ψ,ψ-caroten-1'-yl β-D-glucopyranoside

  • Molecular FormulaC46H66O7
  • Average mass731.012 Da
  • Monoisotopic mass730.480835 Da
  • ChemSpider ID4451297

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E)-20-Hydroxy-3,4-didehydro-1',2'-dihydro-ψ,ψ-caroten-1'-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3E)-20-Hydroxy-3,4-didehydro-1',2'-dihydro-ψ,ψ-carotin-1'-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3E)-20-hydroxy-3,4-didéhydro-1',2'-dihydro-ψ,ψ-carotén-1'-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3E)-3,4-didehydro-1',2'-dihydro-20-hydroxy-ψ,ψ-caroten-1'-yl [ACD/Index Name]
RHODOPINAL GLUCOSIDE
RPA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 885.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.2±6.0 kJ/mol
Flash Point: 489.5±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 221.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 797877.19
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 797871.94
Polar Surface Area: 120 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 671.0±5.0 cm3

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