ChemSpider 2D Image | (3beta,5alpha,6beta,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl beta-D-glucopyranoside | C34H56O8

(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID28501799

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
140447-21-8 [RN]
β-D-Glucopyranoside de (3β,5α,6β,22E)-5,6-dihydroxyergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6β,22E)-5,6-dihydroxyergosta-7,22-dien-3-yl [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.69
ACD/KOC (pH 5.5): 2982.46
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 501.69
ACD/KOC (pH 7.4): 2982.44
Polar Surface Area: 140 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 480.8±5.0 cm3

Click to predict properties on the Chemicalize site


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