Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | (3beta,7beta,8xi,9xi,14xi)-3,7-Diacetoxyandrost-5-en-7-yl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C36H50O14

(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID8465777

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,7β,8ξ,9ξ,14ξ)-3,7-bis(acetyloxy)androst-5-en-7-yl, methyl ester, triacetate [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: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 277.9±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24909.76
ACD/KOC (pH 5.5): 48809.75
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24909.76
ACD/KOC (pH 7.4): 48809.75
Polar Surface Area: 176 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 549.7±5.0 cm3

Click to predict properties on the Chemicalize site


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