Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | (3alpha,5beta)-24-Methoxy-6,24-dioxocholan-3-yl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C38H56O13

(3α,5β)-24-Methoxy-6,24-dioxocholan-3-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID8615284

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3α,5β)-24-Methoxy-6,24-dioxocholan-3-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3α,5β)-24-Methoxy-6,24-dioxocholan-3-yl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Cholan-24-oic acid, 6-oxo-3-[(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)oxy]-, methyl ester, (3α,5β)- [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: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 282.2±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 180.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13546.05
ACD/KOC (pH 5.5): 31560.17
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13546.05
ACD/KOC (pH 7.4): 31560.17
Polar Surface Area: 167 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 584.1±5.0 cm3

Click to predict properties on the Chemicalize site


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