ChemSpider 2D Image | [(6'R)-6'-(Hydroxymethyl)-3',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-imidazo[4,5-c]pyridin]-2-yl]boronic acid | C11H16BN3O3

[(6'R)-6'-(Hydroxymethyl)-3',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-imidazo[4,5-c]pyridin]-2-yl]boronic acid

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID91269814

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(6'R)-6'-(Hydroxymethyl)-3',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-imidazo[4,5-c]pyridin]-2-yl]boronic acid [ACD/IUPAC Name]
Boronic acid, B-[(6'R)-3',5',6',7'-tetrahydro-6'-(hydroxymethyl)spiro[cyclopent-2-ene-1,4'-[4H]imidazo[4,5-c]pyridin]-2-yl]- [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: 639.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.8±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 172.4±5.0 cm3

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