Found 12 results

Search term: MF = 'C_{38}H_{54}O_{7}'
ChemSpider 2D Image | (3beta,5alpha,12beta,22R,25R)-3,26-Diacetoxyfurostan-12-yl benzoate | C38H54O7

(3β,5α,12β,22R,25R)-3,26-Diacetoxyfurostan-12-yl benzoate

  • Molecular FormulaC38H54O7
  • Average mass622.831 Da
  • Monoisotopic mass622.386963 Da
  • ChemSpider ID9402454

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,12β,22R,25R)-3,26-Diacetoxyfurostan-12-yl benzoate [ACD/IUPAC Name]
(3β,5α,12β,22R,25R)-3,26-Diacetoxyfurostan-12-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,5α,12β,22R,25R)-3,26-diacétoxyfurostan-12-yle [French] [ACD/IUPAC Name]
Furostan-3,12,26-triol, 3,26-diacetate 12-benzoate, (3β,5α,12β,22β,25R)- [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: 655.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 266.3±30.2 °C
Index of Refraction: 1.552
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 860383.19
ACD/KOC (pH 5.5): 616058.31
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 860383.19
ACD/KOC (pH 7.4): 616058.31
Polar Surface Area: 88 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 537.5±5.0 cm3

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