Found 257 results

Search term: MF = 'C_{14}H_{17}BFNO_{4}'
ChemSpider 2D Image | (2S)-2-Amino-7-[3-(dihydroxyboryl)-2-fluoro-4-methylphenyl]-6-heptynoic acid | C14H17BFNO4

(2S)-2-Amino-7-[3-(dihydroxyboryl)-2-fluoro-4-methylphenyl]-6-heptynoic acid

  • Molecular FormulaC14H17BFNO4
  • Average mass293.099 Da
  • Monoisotopic mass293.123474 Da
  • ChemSpider ID83848102

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-7-[3-(dihydroxyboryl)-2-fluor-4-methylphenyl]-6-heptinsäure [German] [ACD/IUPAC Name]
(2S)-2-Amino-7-[3-(dihydroxyboryl)-2-fluoro-4-methylphenyl]-6-heptynoic acid [ACD/IUPAC Name]
6-Heptynoic acid, 2-amino-7-(3-borono-2-fluoro-4-methylphenyl)-, (2S)- [ACD/Index Name]
Acide (2S)-2-amino-7-[3-(dihydroxyboryl)-2-fluoro-4-méthylphényl]-6-heptynoïque [French] [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: 541.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.3±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 224.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement