Found 49 results

Search term: MF = 'C_{13}H_{13}Br_{2}NO_{5}'
ChemSpider 2D Image | (2S)-2-[(3,5-Dibromobenzoyl)amino]-5-methoxy-5-oxopentanoic acid | C13H13Br2NO5

(2S)-2-[(3,5-Dibromobenzoyl)amino]-5-methoxy-5-oxopentanoic acid

  • Molecular FormulaC13H13Br2NO5
  • Average mass423.054 Da
  • Monoisotopic mass420.916046 Da
  • ChemSpider ID24977445

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(3,5-Dibrombenzoyl)amino]-5-methoxy-5-oxopentansäure [German] [ACD/IUPAC Name]
(2S)-2-[(3,5-Dibromobenzoyl)amino]-5-methoxy-5-oxopentanoic acid [ACD/IUPAC Name]
Acide (2S)-2-[(3,5-dibromobenzoyl)amino]-5-méthoxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Glutamic acid, N-(3,5-dibromobenzoyl)-, 5-methyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 546.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 284.0±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.62
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

Click to predict properties on the Chemicalize site


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