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Search term: QLGLQJGWGVNAIY-OAHLLOKOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (2R)-{[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]amino}(phenyl)acetate | C17H16BNO5

Methyl (2R)-{[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]amino}(phenyl)acetate

  • Molecular FormulaC17H16BNO5
  • Average mass325.124 Da
  • Monoisotopic mass325.112152 Da
  • ChemSpider ID129301263

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-{[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]amino}(phényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)carbonyl]amino]-, methyl ester, (αR)- [ACD/Index Name]
Methyl (2R)-{[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]amino}(phenyl)acetate [ACD/IUPAC Name]
Methyl-(2R)-{[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]amino}(phenyl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#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: 85 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 246.3±5.0 cm3

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