ChemSpider 2D Image | {5-[2-Acetamido-3-({1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid | C29H38N3O10P

{5-[2-Acetamido-3-({1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid

  • Molecular FormulaC29H38N3O10P
  • Average mass619.600 Da
  • Monoisotopic mass619.229492 Da
  • ChemSpider ID21376913

More details:

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

{5-[2-Acetamido-3-({1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid [ACD/IUPAC Name]
{5-[2-Acetamido-3-({1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}essigsäure [German] [ACD/IUPAC Name]
4-(2-acetamido-3-(1-(3-carbamoyl-4-(cyclohexylmethoxy)phenyl)ethylamino)-3-oxopropyl)-2-(carboxymethoxy)benzenephosphonic acid
Acetic acid, 2-[5-[2-(acetylamino)-3-[[1-[3-(aminocarbonyl)-4-(cyclohexylmethoxy)phenyl]ethyl]amino]-3-oxopropyl]-2-phosphonophenoxy]- [ACD/Index Name]
Acide {5-[2-acétamido-3-({1-[3-carbamoyl-4-(cyclohexylméthoxy)phényl]éthyl}amino)-3-oxopropyl]-2-phosphonophénoxy}acétique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 442.5±5.0 cm3

Click to predict properties on the Chemicalize site


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