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Search term: ZOJBKIGIQRVLGZ-LEWJYISDSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (2S)-2-Amino-2-[(2S)-6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl]propyl dihydrogen phosphate | C21H36NO4P

(2S)-2-Amino-2-[(2S)-6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl]propyl dihydrogen phosphate

  • Molecular FormulaC21H36NO4P
  • Average mass397.489 Da
  • Monoisotopic mass397.238190 Da
  • ChemSpider ID24670133
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Amino-2-[(2S)-6-octyl-1,2,3,4-tetrahydro-2-naphthalenyl]propyl dihydrogen phosphate [ACD/IUPAC Name]
(2S)-2-Amino-2-[(2S)-6-octyl-1,2,3,4-tetrahydro-2-naphthalinyl]propyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Naphthaleneethanol, β-amino-1,2,3,4-tetrahydro-β-methyl-6-octyl-, dihydrogen phosphate (ester), (βS,2S)- [ACD/Index Name]
Dihydrogénophosphate de (2S)-2-amino-2-[(2S)-6-octyl-1,2,3,4-tétrahydro-2-naphtalényl]propyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±30.7 °C
Index of Refraction: 1.542
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 17.18
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.17
Polar Surface Area: 103 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 347.1±3.0 cm3

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