ChemSpider 2D Image | (-)-domesticine | C19H19NO4

(-)-domesticine

  • Molecular FormulaC19H19NO4
  • Average mass325.358 Da
  • Monoisotopic mass325.131409 Da
  • ChemSpider ID32699273

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-domesticine
(6aR)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]chinolin-1-ol [German] [ACD/IUPAC Name]
(6aR)-2-Méthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoléin-1-ol [French] [ACD/IUPAC Name]
(6aR)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol [ACD/IUPAC Name]
4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-, (6aR)- [ACD/Index Name]
54325-07-4 [RN]
(12R)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
24316-05-0 [RN]
476-71-1 [RN]
Domesticine [Wiki]
More...

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

C6Z5L3CM5D [DBID]
CCRIS 3824 [DBID]
UNII:C6Z5L3CM5D [DBID]
UNII-C6Z5L3CM5D [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 15.35
ACD/KOC (pH 5.5): 125.38
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 144.85
ACD/KOC (pH 7.4): 1183.43
Polar Surface Area: 51 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

Click to predict properties on the Chemicalize site


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