Found 13 results

Search term: MF = 'C_{37}H_{55}NO_{6}'
ChemSpider 2D Image | (2E,12beta,20R)-12,20,25-Trihydroxy-2-(4-nitrobenzylidene)dammaran-3-one | C37H55NO6

(2E,12β,20R)-12,20,25-Trihydroxy-2-(4-nitrobenzylidene)dammaran-3-one

  • Molecular FormulaC37H55NO6
  • Average mass609.836 Da
  • Monoisotopic mass609.402954 Da
  • ChemSpider ID129184791

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E,12β,20R)-12,20,25-Trihydroxy-2-(4-nitrobenzyliden)dammaran-3-on [German] [ACD/IUPAC Name]
(2E,12β,20R)-12,20,25-Trihydroxy-2-(4-nitrobenzylidene)dammaran-3-one [ACD/IUPAC Name]
(2E,12β,20R)-12,20,25-Trihydroxy-2-(4-nitrobenzylidène)dammaran-3-one [French] [ACD/IUPAC Name]
Dammaran-3-one, 12,20,25-trihydroxy-2-[(4-nitrophenyl)methylene]-, (2E,12β,20R)- [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: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 253.9±21.3 °C
Index of Refraction: 1.575
Molar Refractivity: 174.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 111248.39
ACD/KOC (pH 5.5): 142467.44
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 111248.39
ACD/KOC (pH 7.4): 142467.44
Polar Surface Area: 124 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 527.7±3.0 cm3

Click to predict properties on the Chemicalize site


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