ChemSpider 2D Image | (3R)-3-{[(Benzyloxy)carbonyl]amino}-6-[(2,6-dichlorobenzoyl)oxy]-5-oxohexanoic acid | C21H19Cl2NO7

(3R)-3-{[(Benzyloxy)carbonyl]amino}-6-[(2,6-dichlorobenzoyl)oxy]-5-oxohexanoic acid

  • Molecular FormulaC21H19Cl2NO7
  • Average mass468.284 Da
  • Monoisotopic mass467.053864 Da
  • ChemSpider ID23193257

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{[(Benzyloxy)carbonyl]amino}-6-[(2,6-dichlorbenzoyl)oxy]-5-oxohexansäure [German] [ACD/IUPAC Name]
(3R)-3-{[(Benzyloxy)carbonyl]amino}-6-[(2,6-dichlorobenzoyl)oxy]-5-oxohexanoic acid [ACD/IUPAC Name]
Acide (3R)-3-{[(benzyloxy)carbonyl]amino}-6-[(2,6-dichlorobenzoyl)oxy]-5-oxohexanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,6-dichloro-, (4R)-5-carboxy-2-oxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl ester [ACD/Index Name]
2,6-Dichloro-benzoic acid (R)-4-benzyloxycarbonylamino-5-carboxy-2-oxo-pentyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 30.45
ACD/KOC (pH 5.5): 158.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 119 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

Click to predict properties on the Chemicalize site


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