ChemSpider 2D Image | [4-(2-Acetamido-3-{[1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]amino}-3-oxopropyl)-2-phosphonophenoxy]acetic acid | C32H36N3O9P

[4-(2-Acetamido-3-{[1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]amino}-3-oxopropyl)-2-phosphonophenoxy]acetic acid

  • Molecular FormulaC32H36N3O9P
  • Average mass637.617 Da
  • Monoisotopic mass637.218933 Da
  • ChemSpider ID71360678

More details:

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

[4-(2-Acetamido-3-{[1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]amino}-3-oxopropyl)-2-phosphonophenoxy]acetic acid [ACD/IUPAC Name]
[4-(2-Acetamido-3-{[1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]amino}-3-oxopropyl)-2-phosphonophenoxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[2-(acetylamino)-3-[[1-([1,1'-biphenyl]-4-ylmethyl)hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxopropyl]-2-phosphonophenoxy]- [ACD/Index Name]
Acide [4-(2-acétamido-3-{[1-(4-biphénylylméthyl)-2-oxo-3-azépanyl]amino}-3-oxopropyl)-2-phosphonophénoxy]acétique [French] [ACD/IUPAC Name]
RU85493

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: 1.649
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 449.1±5.0 cm3

Click to predict properties on the Chemicalize site


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