Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | 21-Acetoxy-11,20-dioxopregnan-3-yl methyl 2,3,4-tri-O-acetylhexopyranosiduronate | C36H50O14

21-Acetoxy-11,20-dioxopregnan-3-yl methyl 2,3,4-tri-O-acetylhexopyranosiduronate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID3841495

More details:

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

21-Acetoxy-11,20-dioxopregnan-3-yl methyl 2,3,4-tri-O-acetylhexopyranosiduronate [ACD/IUPAC Name]
21-Acetoxy-11,20-dioxopregnan-3-yl-methyl-2,3,4-tri-O-acetylhexopyranosiduronat [German] [ACD/IUPAC Name]
Pregnane-11,20-dione, 21-(acetyloxy)-3-[(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)oxy]- [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: 716.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 289.7±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1088.15
ACD/KOC (pH 5.5): 5191.11
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1088.15
ACD/KOC (pH 7.4): 5191.11
Polar Surface Area: 184 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 548.2±5.0 cm3

Click to predict properties on the Chemicalize site


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