Found 5 results

Search term: MF = 'C_{15}H_{26}NO_{7}P'
ChemSpider 2D Image | Ethyl (4aR,7aS)-4-[(diethoxyphosphoryl)oxy]-4a-hydroxy-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine-2-carboxylate | C15H26NO7P

Ethyl (4aR,7aS)-4-[(diethoxyphosphoryl)oxy]-4a-hydroxy-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine-2-carboxylate

  • Molecular FormulaC15H26NO7P
  • Average mass363.343 Da
  • Monoisotopic mass363.144684 Da
  • ChemSpider ID74113149

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4aR,7aS)-4-[(Diéthoxyphosphoryl)oxy]-4a-hydroxy-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Cyclopenta[b]pyridine-2-carboxylic acid, 4-[(diethoxyphosphinyl)oxy]-2,4a,5,6,7,7a-hexahydro-4a-hydroxy-, ethyl ester, (4aR,7aS)- [ACD/Index Name]
Ethyl (4aR,7aS)-4-[(diethoxyphosphoryl)oxy]-4a-hydroxy-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine-2-carboxylate [ACD/IUPAC Name]
Ethyl-(4aR,7aS)-4-[(diethoxyphosphoryl)oxy]-4a-hydroxy-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-2-carboxylat [German] [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: 456.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 229.6±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 60.73
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.50
ACD/KOC (pH 7.4): 160.12
Polar Surface Area: 113 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 285.5±5.0 cm3

Click to predict properties on the Chemicalize site


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