Found 9 results

Search term: MF = 'C_{14}H_{16}Br_{2}N_{2}O_{6}'
ChemSpider 2D Image | (4S)-4-[(4-Acetamido-3,5-dibromobenzoyl)amino]-5,5-dihydroxypentanoic acid | C14H16Br2N2O6

(4S)-4-[(4-Acetamido-3,5-dibromobenzoyl)amino]-5,5-dihydroxypentanoic acid

  • Molecular FormulaC14H16Br2N2O6
  • Average mass468.095 Da
  • Monoisotopic mass465.937500 Da
  • ChemSpider ID120961442

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-[(4-Acetamido-3,5-dibrombenzoyl)amino]-5,5-dihydroxypentansäure [German] [ACD/IUPAC Name]
(4S)-4-[(4-Acetamido-3,5-dibromobenzoyl)amino]-5,5-dihydroxypentanoic acid [ACD/IUPAC Name]
Acide (4S)-4-[(4-acétamido-3,5-dibromobenzoyl)amino]-5,5-dihydroxypentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-[[4-(acetylamino)-3,5-dibromobenzoyl]amino]-5,5-dihydroxy-, (4S)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 251.6±3.0 cm3

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