ChemSpider 2D Image | Upacicalcet | C11H14ClN3O6S

Upacicalcet

  • Molecular FormulaC11H14ClN3O6S
  • Average mass351.763 Da
  • Monoisotopic mass351.029175 Da
  • ChemSpider ID71115962

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(3-Chlor-2-methyl-5-sulfophenyl)carbamoyl]amino}-L-alanin [German] [ACD/IUPAC Name]
3-{[(3-Chloro-2-methyl-5-sulfophenyl)carbamoyl]amino}-L-alanine [ACD/IUPAC Name]
3-{[(3-Chloro-2-méthyl-5-sulfophényl)carbamoyl]amino}-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-[[[(3-chloro-2-methyl-5-sulfophenyl)amino]carbonyl]amino]- [ACD/Index Name]
upacicalcet [French] [INN]
upacicalcet [Spanish] [INN]
Upacicalcet [INN]
upacicalcetum [Latin] [INN]
尤帕卡塞 [Chinese] [INN]
(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

Click to predict properties on the Chemicalize site


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