Found 30 results

Search term: MF = 'C_{28}H_{44}O_{9}'
ChemSpider 2D Image | (3alpha)-3-Hydroxy-20-oxopregnan-21-yl methyl alpha-D-idopyranosiduronate | C28H44O9

(3α)-3-Hydroxy-20-oxopregnan-21-yl methyl α-D-idopyranosiduronate

  • Molecular FormulaC28H44O9
  • Average mass524.644 Da
  • Monoisotopic mass524.298523 Da
  • ChemSpider ID22889822

  • defined stereocentres - 5 of 13 defined stereocentres

More details:

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

(3α)-3-Hydroxy-20-oxopregnan-21-yl methyl α-D-idopyranosiduronate [ACD/IUPAC Name]
(3α)-3-Hydroxy-20-oxopregnan-21-yl-methyl-α-D-idopyranosiduronat [German] [ACD/IUPAC Name]
Pregnan-20-one, 3-hydroxy-21-[(6-methyl-α-D-idopyranuronosyl)oxy]-, (3α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 219.0±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.25
ACD/KOC (pH 5.5): 1209.95
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.25
ACD/KOC (pH 7.4): 1209.93
Polar Surface Area: 143 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

Click to predict properties on the Chemicalize site


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