ChemSpider 2D Image | S-(3-Carboxypropyl)homocysteine | C8H15NO4S

S-(3-Carboxypropyl)homocysteine

  • Molecular FormulaC8H15NO4S
  • Average mass221.274 Da
  • Monoisotopic mass221.072174 Da
  • ChemSpider ID23272411

More details:

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

Homocysteine, S-(3-carboxypropyl)- [ACD/Index Name]
S-(3-Carboxypropyl)homocystein [German] [ACD/IUPAC Name]
S-(3-Carboxypropyl)homocysteine [ACD/IUPAC Name]
S-(3-Carboxypropyl)homocystéine [French] [ACD/IUPAC Name]
(R,S)-2-amino-4-(3-carboxy-propylsulfanyl)-butyric acid
2-AMINO-4-[(3-CARBOXYPROPYL)SULFANYL]BUTANOIC ACID
88096-03-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 472.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.6±6.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 167.9±3.0 cm3

Click to predict properties on the Chemicalize site


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