ChemSpider 2D Image | 3-[(2R)-2-[(Benzylsulfonyl)amino]-2-(dihydroxyboryl)ethyl]benzoic acid | C16H18BNO6S

3-[(2R)-2-[(Benzylsulfonyl)amino]-2-(dihydroxyboryl)ethyl]benzoic acid

  • Molecular FormulaC16H18BNO6S
  • Average mass363.193 Da
  • Monoisotopic mass363.094788 Da
  • ChemSpider ID25056643

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
3-[(2R)-2-[(Benzylsulfonyl)amino]-2-(dihydroxyboryl)ethyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(2R)-2-[(Benzylsulfonyl)amino]-2-(dihydroxyboryl)ethyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboryl)éthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2R)-2-borono-2-[[(phenylmethyl)sulfonyl]amino]ethyl]- [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: 668.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 358.0±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 27.58
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 259.2±3.0 cm3

Click to predict properties on the Chemicalize site


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