Found 58 results

Search term: MF = 'C_{30}H_{37}NO_{8}'
ChemSpider 2D Image | (11alpha,13alpha,14beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(2-furylmethyl)amino]-4-oxobutanoate | C30H37NO8

(11α,13α,14β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(2-furylmethyl)amino]-4-oxobutanoate

  • Molecular FormulaC30H37NO8
  • Average mass539.617 Da
  • Monoisotopic mass539.251892 Da
  • ChemSpider ID1403955

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11α,13α,14β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(2-furylmethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
(11α,13α,14β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl-4-[(2-furylmethyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(2-Furylméthyl)amino]-4-oxobutanoate de (11α,13α,14β)-11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2-furanylmethyl)amino]-4-oxo-, (11α,13α,14β)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]

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

ZINC02134297 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.3±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.12
ACD/KOC (pH 5.5): 540.26
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.12
ACD/KOC (pH 7.4): 540.26
Polar Surface Area: 143 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 406.0±5.0 cm3

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