ChemSpider 2D Image | ergosteryl 3-beta-D-glucoside | C34H54O6

ergosteryl 3-β-D-glucoside

  • Molecular FormulaC34H54O6
  • Average mass558.789 Da
  • Monoisotopic mass558.392029 Da
  • ChemSpider ID23107093

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,22E)-Ergosta-5,7,22-trien-3-yl β-D-glucopyranoside
(3β,22E)-Ergosta-5,7,22-trien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22E)-Ergosta-5,7,22-trien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
130155-33-8 [RN]
ergosteryl 3-β-D-glucoside
β-D-Glucopyranoside de (3β,22E)-ergosta-5,7,22-trién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,22E)-ergosta-5,7,22-trien-3-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-7,9-dien-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Ergosterol glucoside

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

66840 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22344.60
ACD/KOC (pH 5.5): 45156.85
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22344.45
ACD/KOC (pH 7.4): 45156.55
Polar Surface Area: 99 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 478.6±5.0 cm3

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