ChemSpider 2D Image | (2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-icosen-1-yl dihydrogen phosphate | C46H90NO6P

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-icosen-1-yl dihydrogen phosphate

  • Molecular FormulaC46H90NO6P
  • Average mass784.184 Da
  • Monoisotopic mass783.650574 Da
  • ChemSpider ID17220996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-icosen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-icosen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-nonadecen-1-yl]-, (17Z)- [ACD/Index Name]
Dihydrogénophosphate de (2S,3R,4E)-2-[(17Z)-17-hexacosenoylamino]-3-hydroxy-4-icosén-1-yle [French] [ACD/IUPAC Name]
[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyicos-4-en-1-yl]oxyphosphonic acid
[(E,2S,3R)-2-[[(Z)-hexacos-17-enoyl]amino]-3-hydroxyicos-4-enyl]
{[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyicos-4-en-1-yl]oxy}phosphonic acid
CerP(d18:1/26:1(17Z))
N-(17Z-Hexacosenoyl)-sphing-4-enine-1-phosphate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.488
Molar Refractivity: 232.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 18.18
ACD/LogD (pH 5.5): 12.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3292163.00
ACD/LogD (pH 7.4): 11.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 380969.47
Polar Surface Area: 126 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 804.8±3.0 cm3

Click to predict properties on the Chemicalize site


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