ChemSpider 2D Image | 2-[2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylene-decalin-1-yl]ethyl-methyl-amino]ethyl phosphono hydrogen phosphate | C19H37NO7P2

2-[2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylene-decalin-1-yl]ethyl-methyl-amino]ethyl phosphono hydrogen phosphate

  • Molecular FormulaC19H37NO7P2
  • Average mass453.447 Da
  • Monoisotopic mass453.204529 Da
  • ChemSpider ID25061221

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(Methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]ethyl}amino)ethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
2-(Methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}amino)ethyl trihydrogen diphosphate [ACD/IUPAC Name]
2-(Methyl{2-[(1s,4as,8as)-5,5,8a-Trimethyl-2-Methylidenedecahydronaphthalen-1-Yl]ethyl}amino)ethyl Trihydrogen Diphosphate
2-[2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylene-decalin-1-yl]ethyl-methyl-amino]ethyl phosphono hydrogen phosphate
Diphosphoric acid, mono[2-[[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]methylamino]ethyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de 2-(méthyl{2-[(1S,4aS,8aS)-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]éthyl}amino)éthyle [French] [ACD/IUPAC Name]
A3C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 294.7±30.7 °C
Index of Refraction: 1.524
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 362.5±5.0 cm3

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