ChemSpider 2D Image | 2,3,5,6,8,9,11,12,14,15,17,18-Dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine-21-carboxylic acid | C19H28O9

2,3,5,6,8,9,11,12,14,15,17,18-Dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine-21-carboxylic acid

  • Molecular FormulaC19H28O9
  • Average mass400.420 Da
  • Monoisotopic mass400.173340 Da
  • ChemSpider ID115285392

More details:

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

1,4,7,10,13,16,19-Benzoheptaoxacycloheneicosin-21-carboxylic acid, 2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro- [ACD/Index Name]
2,3,5,6,8,9,11,12,14,15,17,18-Dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosin-21-carbonsäure [German] [ACD/IUPAC Name]
2,3,5,6,8,9,11,12,14,15,17,18-Dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine-21-carboxylic acid [ACD/IUPAC Name]
Acide 2,3,5,6,8,9,11,12,14,15,17,18-dodécahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohénicosine-21-carboxylique [French] [ACD/IUPAC Name]
1207563-98-1 [RN]
2,3,5,6,8,9,11,12,14,15,17,18-Dodecahydrobenzo[b][1,4,7,10,13,16,19]heptaoxacyclohenicosine-21-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 203.4±23.6 °C
Index of Refraction: 1.469
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 352.2±3.0 cm3

Click to predict properties on the Chemicalize site


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