ChemSpider 2D Image | L-Asparaginyl-N-[(3S)-1,1-dioxidotetrahydro-3-thiophenyl]glycine | C10H17N3O6S

L-Asparaginyl-N-[(3S)-1,1-dioxidotetrahydro-3-thiophenyl]glycine

  • Molecular FormulaC10H17N3O6S
  • Average mass307.323 Da
  • Monoisotopic mass307.083801 Da
  • ChemSpider ID62577396

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{[(2S)-4-Amino-2-ammonio-4-oxobutanoyl][(3S)-1,1-dioxidotetrahydro-3-thiophenyl]amino}acetat [German] [ACD/IUPAC Name]
{[(2S)-4-Amino-2-ammonio-4-oxobutanoyl][(3S)-1,1-dioxidotetrahydro-3-thiophenyl]amino}acetate [ACD/IUPAC Name]
{[(2S)-4-Amino-2-ammonio-4-oxobutanoyl][(3S)-1,1-dioxydotétrahydro-3-thiophényl]amino}acétate [French] [ACD/IUPAC Name]
2-Butanaminium, 4-amino-1-[(carboxymethyl)[(3S)-tetrahydro-1,1-dioxido-3-thienyl]amino]-1,4-dioxo-, inner salt, (2S)- [ACD/Index Name]
Glycine, L-asparaginyl-N-[(3S)-tetrahydro-1,1-dioxido-3-thienyl]- [ACD/Index Name]
L-Asparaginyl-N-[(3S)-1,1-dioxidotetrahydro-3-thiophenyl]glycin [German] [ACD/IUPAC Name]
L-Asparaginyl-N-[(3S)-1,1-dioxidotetrahydro-3-thiophenyl]glycine [ACD/IUPAC Name]
L-Asparaginyl-N-[(3S)-1,1-dioxydotétrahydro-3-thiophényl]glycine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -5.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 198.8±5.0 cm3

Click to predict properties on the Chemicalize site


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