ChemSpider 2D Image | (3beta,5alpha,15alpha,22E)-3,25-Dihydroxy-6-oxoergosta-7,22-dien-15-yl beta-D-glucopyranoside | C34H54O9

(3β,5α,15α,22E)-3,25-Dihydroxy-6-oxoergosta-7,22-dien-15-yl β-D-glucopyranoside

  • Molecular FormulaC34H54O9
  • Average mass606.787 Da
  • Monoisotopic mass606.376770 Da
  • ChemSpider ID78443468

  • 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,15α,22E)-3,25-Dihydroxy-6-oxoergosta-7,22-dien-15-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,15α,22E)-3,25-Dihydroxy-6-oxoergosta-7,22-dien-15-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-7,22-dien-6-one, 15-(β-D-glucopyranosyloxy)-3,25-dihydroxy-, (3β,5α,15α,22E)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,5α,15α,22E)-3,25-dihydroxy-6-oxoergosta-7,22-dién-15-yle [French] [ACD/IUPAC Name]
3β,25-dihydroxy-15α-O-β-d-glucopyranosylergosta-7,22-dien-6-one
Fomentarol D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.92
ACD/KOC (pH 5.5): 263.52
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.92
ACD/KOC (pH 7.4): 263.52
Polar Surface Area: 157 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 477.5±5.0 cm3

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