ChemSpider 2D Image | caryachine | C19H19NO4

caryachine

  • Molecular FormulaC19H19NO4
  • Average mass325.358 Da
  • Monoisotopic mass325.131409 Da
  • ChemSpider ID24699845

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,12S)-16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2(10),3,8,13,15,17-hexaen-15-ol [German] [ACD/IUPAC Name]
(1S,12S)-16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2(10),3,8,13,15,17-hexaen-15-ol [ACD/IUPAC Name]
(1S,12S)-16-Méthoxy-20-méthyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2(10),3,8,13,15,17-hexaén-15-ol [French] [ACD/IUPAC Name]
37687-27-7 [RN]
Benzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d]-1,3-dioxol-5,11-imin-9-ol, 5,6,11,12-tetrahydro-8-methoxy-14-methyl-, (5S,11S)- [ACD/Index Name]
caryachine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480663/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 228.3±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 5.80
ACD/KOC (pH 5.5): 55.01
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 80.75
ACD/KOC (pH 7.4): 765.22
Polar Surface Area: 51 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 245.0±3.0 cm3

Click to predict properties on the Chemicalize site


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