ChemSpider 2D Image | 3-{[(3S)-3-(Aminomethyl)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy}propanoic acid | C11H14BNO5

3-{[(3S)-3-(Aminomethyl)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy}propanoic acid

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID58142303

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(3S)-3-(Aminomethyl)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy}propanoic acid [ACD/IUPAC Name]
3-{[(3S)-3-(Aminomethyl)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[(3S)-3-(aminométhyl)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 427.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.2±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 102 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 183.5±5.0 cm3

Click to predict properties on the Chemicalize site


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