ChemSpider 2D Image | 1-{(2R)-2-(Dihydroxyboryl)-2-[(2-thienylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid | C11H13BN4O5S

1-{(2R)-2-(Dihydroxyboryl)-2-[(2-thienylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC11H13BN4O5S
  • Average mass324.121 Da
  • Monoisotopic mass324.069977 Da
  • ChemSpider ID35034742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(2r)-2-(Dihydroxyboranyl)-2-[(Thiophen-2-Ylacetyl)amino]ethyl}-1h-1,2,3-Triazole-4-Carboxylic Acid
1-{(2R)-2-(Dihydroxyboryl)-2-[(2-thienylacetyl)amino]ethyl}-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-{(2R)-2-(Dihydroxyboryl)-2-[(2-thienylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(2R)-2-borono-2-[[2-(2-thienyl)acetyl]amino]ethyl]- [ACD/Index Name]
Acide 1-[(2R)-2-(dihydroxyboryl)-2-{[2-(2-thiényl)acétyl]amino}éthyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
ZXM

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: 1.694
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

Click to predict properties on the Chemicalize site


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