ChemSpider 2D Image | {3-[(1,3-Dihydroxy-2-methyl-2-propanyl)carbamoyl]phenyl}boronic acid | C11H16BNO5

{3-[(1,3-Dihydroxy-2-methyl-2-propanyl)carbamoyl]phenyl}boronic acid

  • Molecular FormulaC11H16BNO5
  • Average mass253.059 Da
  • Monoisotopic mass253.112152 Da
  • ChemSpider ID72904580

More details:

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

{3-[(1,3-Dihydroxy-2-methyl-2-propanyl)carbamoyl]phenyl}boronic acid [ACD/IUPAC Name]
{3-[(1,3-Dihydroxy-2-methyl-2-propanyl)carbamoyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(1,3-dihydroxy-2-méthyl-2-propanyl)carbamoyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino]carbonyl]phenyl]- [ACD/Index 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: 1.584
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.81
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.37
Polar Surface Area: 110 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 189.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement