ChemSpider 2D Image | (4aS,7aR)-Octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) | C8H17NO6P2

(4aS,7aR)-Octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)

  • Molecular FormulaC8H17NO6P2
  • Average mass285.171 Da
  • Monoisotopic mass285.053101 Da
  • ChemSpider ID25057939

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aR)-Octahydro-1H-cyclopenta[b]pyridin-6,6-diylbis(phosphonsäure) [German] [ACD/IUPAC Name]
(4aS,7aR)-Octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) [ACD/IUPAC Name]
Acide (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [(4aS,7aR)-octahydro-1H-cyclopenta[b]pyridin-6-ylidene]bis- [ACD/Index Name]
RSX

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

Density: 1.6±0.1 g/cm3
Boiling Point: 603.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 318.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -6.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 175.0±5.0 cm3

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