Found 9 results

Search term: MF = 'C_{22}H_{46}NO_{6}P'
ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-(octanoylamino)tetradecyl dihydrogen phosphate | C22H46NO6P

(2S,3R)-3-Hydroxy-2-(octanoylamino)tetradecyl dihydrogen phosphate

  • Molecular FormulaC22H46NO6P
  • Average mass451.578 Da
  • Monoisotopic mass451.306274 Da
  • ChemSpider ID61712164

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-(octanoylamino)tetradecyl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(octanoylamino)tetradecyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2S,3R)-3-hydroxy-2-(octanoylamino)tétradécyle [French] [ACD/IUPAC Name]
Octanamide, N-[(1S,2R)-2-hydroxy-1-[(phosphonooxy)methyl]tridecyl]- [ACD/Index Name]
(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
1T9

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.485
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 6.77
ACD/KOC (pH 5.5): 15.37
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 126 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 421.4±3.0 cm3

Click to predict properties on the Chemicalize site


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