ChemSpider 2D Image | (2R)-2-({N-[(2R)-2-Ammonio-3-chloropropanoyl]-3-chloro-L-alanyl}amino)-3-chloropropanoate | C9H14Cl3N3O4

(2R)-2-({N-[(2R)-2-Ammonio-3-chloropropanoyl]-3-chloro-L-alanyl}amino)-3-chloropropanoate

  • Molecular FormulaC9H14Cl3N3O4
  • Average mass334.584 Da
  • Monoisotopic mass333.004974 Da
  • ChemSpider ID23156392

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-({N-[(2R)-2-Ammonio-3-chloropropanoyl]-3-chloro-L-alanyl}amino)-3-chloropropanoate [ACD/IUPAC Name]
(2R)-2-({N-[(2R)-2-Ammonio-3-chloropropanoyl]-3-chloro-L-alanyl}amino)-3-chloropropanoate [French] [ACD/IUPAC Name]
(2R)-2-({N-[(2R)-2-Ammonio-3-chlorpropanoyl]-3-chlor-L-alanyl}amino)-3-chlorpropanoat [German] [ACD/IUPAC Name]
L-Alanine, 3-chloro-L-alanyl-3-chloro-L-alanyl-3-chloro- [ACD/Index Name]
(2R)-2-[((2R)-2-{[(2R)-2-ammonio-3-chloropropanoyl]amino}-3-chloropropanoyl)amino]-3-chloropropanoate
(R)-2-((R)-2-((R)-2-Amino-3-chloropropanamido)-3-chloropropanamido)-3-chloropropanoic acid
103711-74-6 [RN]

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

Density:
Boiling Point: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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