ChemSpider 2D Image | (1S,2S,3R,5R,6S,9S)-11-Methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.1~2,5~.0~6,17~.0~10,15~]octadeca-10,12,14-triene-3-carboxylic acid | C18H22N2O4

(1S,2S,3R,5R,6S,9S)-11-Methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10,12,14-triene-3-carboxylic acid

  • Molecular FormulaC18H22N2O4
  • Average mass330.378 Da
  • Monoisotopic mass330.157959 Da
  • ChemSpider ID59701186

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3R,5R,6S,9S)-11-Methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10,12,14-trien-3-carbonsäure [German] [ACD/IUPAC Name]
(1S,2S,3R,5R,6S,9S)-11-Methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10,12,14-triene-3-carboxylic acid [ACD/IUPAC Name]
3,6-Imino-1H-2-oxa-11c-azanaphth[1,2,3-cd]azulene-5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro-11-methoxy-12-methyl-, (2aS,3R,5R,6S,6aS,11bS)- [ACD/Index Name]
Acide (1S,2S,3R,5R,6S,9S)-11-méthoxy-18-méthyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadéca-10,12,14-triène-3-carboxylique [French] [ACD/IUPAC Name]
Quinocarcin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 269.1±30.1 °C
Index of Refraction: 1.666
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 233.8±5.0 cm3

Click to predict properties on the Chemicalize site


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