ChemSpider 2D Image | (1beta,2beta)-1-Hydroxy-7-methoxycrinan-2-yl acetate | C19H23NO6

(1β,2β)-1-Hydroxy-7-methoxycrinan-2-yl acetate

  • Molecular FormulaC19H23NO6
  • Average mass361.389 Da
  • Monoisotopic mass361.152527 Da
  • ChemSpider ID30791101

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1β,2β)-1-Hydroxy-7-methoxycrinan-2-yl acetate [ACD/IUPAC Name]
1H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-7-methoxy-, 2-acetate, (1R,2S,4aR,11bS)- [ACD/Index Name]
Acétate de (1β,2β)-1-hydroxy-7-méthoxycrinan-2-yle [French] [ACD/IUPAC Name]
1-Epideacetylbowdensine
265992-99-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.49
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.36
ACD/KOC (pH 7.4): 140.02
Polar Surface Area: 77 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 253.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement