Found 3 results

Search term: VKJFTVNIMCOQOP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,4axi)-O~2~,O~3~-Diacetylpancracine | C20H21NO6

(3α,4axi)-O2,O3-Diacetylpancracine

  • Molecular FormulaC20H21NO6
  • Average mass371.384 Da
  • Monoisotopic mass371.136902 Da
  • ChemSpider ID30651135

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3α,4axi)-O2,O3-Diacetylpancracin [German] [ACD/IUPAC Name]
(3α,4axi)-O2,O3-Diacetylpancracine [ACD/IUPAC Name]
(3α,4axi)-O2,O3-Diacétylpancracine [French] [ACD/IUPAC Name]
6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, diacetate (ester), (8R,9S,11S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.5±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 5.80
ACD/KOC (pH 5.5): 77.86
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.21
ACD/KOC (pH 7.4): 365.30
Polar Surface Area: 74 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 263.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement