ChemSpider 2D Image | dinoxin B | C34H48O11

dinoxin B

  • Molecular FormulaC34H48O11
  • Average mass632.738 Da
  • Monoisotopic mass632.319641 Da
  • ChemSpider ID26392767

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(12β,22R)-12,21-Dihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(12β,22R)-12,21-Dihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
dinoxin B
Ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-27-(β-D-glucopyranosyloxy)-12,21-dihydroxy-, (12β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (12β,22R)-12,21-dihydroxy-1,26-dioxo-22,26-époxyergosta-2,5,24-trién-27-yle [French] [ACD/IUPAC Name]
12,21-dihydroxy-1-oxowitha-2,5,24-trienolide-27-O-β-D-glucopyranoside
Ergosta-2,5,24-trien-26-oic acid, 27-(β-Dglucopyranosyloxy)-12,21,22-trihydroxy-1-oxo, δ-lactone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 858.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 270.9±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.25
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.25
Polar Surface Area: 183 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 453.4±5.0 cm3

Click to predict properties on the Chemicalize site


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