ChemSpider 2D Image | (4-{[(1S,2R)-2-(Methoxycarbonyl)cyclopropyl]ethynyl}benzyl)phosphonic acid | C14H15O5P

(4-{[(1S,2R)-2-(Methoxycarbonyl)cyclopropyl]ethynyl}benzyl)phosphonic acid

  • Molecular FormulaC14H15O5P
  • Average mass294.240 Da
  • Monoisotopic mass294.065704 Da
  • ChemSpider ID91752155

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-{[(1S,2R)-2-(Methoxycarbonyl)cyclopropyl]ethinyl}benzyl)phosphonsäure [German] [ACD/IUPAC Name]
(4-{[(1S,2R)-2-(Methoxycarbonyl)cyclopropyl]ethynyl}benzyl)phosphonic acid [ACD/IUPAC Name]
Acide (4-{[(1S,2R)-2-(méthoxycarbonyl)cyclopropyl]éthynyl}benzyl)phosphonique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[2-[4-(phosphonomethyl)phenyl]ethynyl]-, methyl ester, (1R,2S)- [ACD/Index 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: 508.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.5±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

Click to predict properties on the Chemicalize site


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