ChemSpider 2D Image | Sarcinaxanthin monoglucoside | C56H82O7

Sarcinaxanthin monoglucoside

  • Molecular FormulaC56H82O7
  • Average mass867.246 Da
  • Monoisotopic mass866.606079 Da
  • ChemSpider ID29272845

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E)-4-{(2R,2'R,6R,6'R)-2-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-18,18'-didehydro-6,6'-dihydro-β,β-caroten-2'-yl}-2-methyl-2-buten-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-4-{(2R,2'R,6R,6'R)-2-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-18,18'-didehydro-6,6'-dihydro-β,β-carotin-2'-yl}-2-methyl-2-buten-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Sarcinaxanthin monoglucoside
β-D-Glucopyranoside de (2E)-4-{(2R,2'R,6R,6'R)-2-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]-18,18'-didéhydro-6,6'-dihydro-β,β-carotén-2'-yl}-2-méthyl-2-butén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-4-[(2R,2'R,6R,6'R)-18,18'-didehydro-6,6'-dihydro-2-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-β,β-caroten-2'-yl]-2-methyl-2-buten-1-yl [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 918.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.7±6.0 kJ/mol
Flash Point: 509.5±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 262.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 14.29
ACD/LogD (pH 5.5): 12.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 120 Å2
Polarizability: 104.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 799.7±5.0 cm3

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