ChemSpider 2D Image | Epetraborole | C11H16BNO4


  • Molecular FormulaC11H16BNO4
  • Average mass237.060 Da
  • Monoisotopic mass237.117233 Da
  • ChemSpider ID32698085
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Aminomethyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [German] [ACD/IUPAC Name]
(3S)-3-(Aminomethyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [ACD/IUPAC Name]
(3S)-3-(Aminométhyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [French] [ACD/IUPAC Name]
1093643-37-8 [RN]
1-Propanol, 3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]- [ACD/Index Name]
epetraborol [Spanish] [INN]
Epetraborole [INN]
épétraborole [French] [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 407.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.4±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
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: 24.4±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 186.5±5.0 cm3

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