ChemSpider 2D Image | (2R,3S,11R,12S)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid | C16H24O14

(2R,3S,11R,12S)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid

  • Molecular FormulaC16H24O14
  • Average mass440.353 Da
  • Monoisotopic mass440.116608 Da
  • ChemSpider ID58842302

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,11R,12S)-1,4,7,10,13,16-Hexaoxacyclooctadecan-2,3,11,12-tetracarbonsäure [German] [ACD/IUPAC Name]
(2R,3S,11R,12S)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid [ACD/IUPAC Name]
1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, (2R,3S,11R,12S)- [ACD/Index Name]
Acide (2R,3S,11R,12S)-1,4,7,10,13,16-hexaoxacyclooctadécane-2,3,11,12-tétracarboxylique [French] [ACD/IUPAC 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: 798.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 283.7±26.4 °C
Index of Refraction: 1.480
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -7.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 314.6±3.0 cm3

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