ChemSpider 2D Image | 4-(Dihydroxyboryl)-2-({[4-(phenylsulfonyl)-2-thienyl]sulfonyl}amino)benzoic acid | C17H14BNO8S3

4-(Dihydroxyboryl)-2-({[4-(phenylsulfonyl)-2-thienyl]sulfonyl}amino)benzoic acid

  • Molecular FormulaC17H14BNO8S3
  • Average mass467.301 Da
  • Monoisotopic mass466.997467 Da
  • ChemSpider ID24673743

More details:

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

4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
4-(Dihydroxyboryl)-2-({[4-(phenylsulfonyl)-2-thienyl]sulfonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-(Dihydroxyboryl)-2-({[4-(phenylsulfonyl)-2-thienyl]sulfonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-(dihydroxyboryl)-2-({[4-(phénylsulfonyl)-2-thiényl]sulfonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-borono-2-[[[4-(phenylsulfonyl)-2-thienyl]sulfonyl]amino]- [ACD/Index Name]
2-[4-(benzenesulfonyl)thiophene-2-sulfonamido]-4-(dihydroxyboranyl)benzoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 779.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 425.0±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.53
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

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