ChemSpider 2D Image | S-{(3S)-5-[(R)-Amino(carboxy)methyl]-2,3-dihydro-1,2-oxazol-3-yl}-L-cysteine | C8H13N3O5S

S-{(3S)-5-[(R)-Amino(carboxy)methyl]-2,3-dihydro-1,2-oxazol-3-yl}-L-cysteine

  • Molecular FormulaC8H13N3O5S
  • Average mass263.271 Da
  • Monoisotopic mass263.057587 Da
  • ChemSpider ID26329616

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid
L-Cysteine, S-[(3S)-5-[(R)-aminocarboxymethyl]-2,3-dihydro-3-isoxazolyl]- [ACD/Index Name]
S-{(3S)-5-[(R)-Amino(carboxy)methyl]-2,3-dihydro-1,2-oxazol-3-yl}-L-cystein [German] [ACD/IUPAC Name]
S-{(3S)-5-[(R)-Amino(carboxy)methyl]-2,3-dihydro-1,2-oxazol-3-yl}-L-cysteine [ACD/IUPAC Name]
S-{(3S)-5-[(R)-Amino(carboxy)méthyl]-2,3-dihydro-1,2-oxazol-3-yl}-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-amino-3-{[(3S)-5-[(R)-amino(carboxy)methyl]-2,3-dihydro-1,2-oxazol-3-yl]sulfanyl}propanoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 521.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 269.1±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 162.3±5.0 cm3

Click to predict properties on the Chemicalize site


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