ChemSpider 2D Image | Hamayne | C16H17NO4

Hamayne

  • Molecular FormulaC16H17NO4
  • Average mass287.310 Da
  • Monoisotopic mass287.115753 Da
  • ChemSpider ID23327027

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3α,11R,13β)-1,2-Didehydrocrinan-3,11-diol [ACD/IUPAC Name]
(3α,11R,13β)-1,2-Didéhydrocrinan-3,11-diol [French] [ACD/IUPAC Name]
3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-3,12-diol, 4,4a-dihydro-, (3R,4aS,11bR,12R)- [ACD/Index Name]
Hamayne
(+)-bulbispermine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511614/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.737
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.61
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 53.36
Polar Surface Area: 62 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 186.9±5.0 cm3

Click to predict properties on the Chemicalize site


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