ChemSpider 2D Image | (8alpha,9beta,10alpha,11alpha,13alpha,14beta,17alpha)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butanoate | C30H43NO8

(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butanoate

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID113598186

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butanoate [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-4-oxo-4-[(tetrahydro-2-furanylmethyl)amino]butanoat [German] [ACD/IUPAC Name]
4-Oxo-4-[(tétrahydro-2-furanylméthyl)amino]butanoate de (8α,9β,10α,11α,13α,14β,17α)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[(tetrahydro-2-furanyl)methyl]amino]-, (8α,9β,10α,11α,13α,14β,17α)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [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: 776.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.84
ACD/KOC (pH 5.5): 386.12
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.84
ACD/KOC (pH 7.4): 386.12
Polar Surface Area: 139 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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