ChemSpider 2D Image | 1-Deoxy-1-{[(7R,18Z,21Z)-4,7-dihydroxy-4-oxido-10-oxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosa-18,21-dien-1-yl]amino}-beta-D-fructopyranose | C29H54NO12P

1-Deoxy-1-{[(7R,18Z,21Z)-4,7-dihydroxy-4-oxido-10-oxo-3,5,9-trioxa-4λ5-phosphaheptacosa-18,21-dien-1-yl]amino}-β-D-fructopyranose

  • Molecular FormulaC29H54NO12P
  • Average mass639.712 Da
  • Monoisotopic mass639.338379 Da
  • ChemSpider ID113381065

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Deoxy-1-{[(7R,18Z,21Z)-4,7-dihydroxy-4-oxido-10-oxo-3,5,9-trioxa-4λ5-phosphaheptacosa-18,21-dien-1-yl]amino}-β-D-fructopyranose [ACD/IUPAC Name]
1-Désoxy-1-{[(7R,18Z,21Z)-4,7-dihydroxy-10-oxo-4-oxydo-3,5,9-trioxa-4λ5-phosphaheptacosa-18,21-dién-1-yl]amino}-β-D-fructopyranose [French] [ACD/IUPAC Name]
1-Desoxy-1-{[(7R,18Z,21Z)-4,7-dihydroxy-4-oxido-10-oxo-3,5,9-trioxa-4λ5-phosphaheptacosa-18,21-dien-1-yl]amino}-β-D-fructopyranose [German] [ACD/IUPAC Name]
β-D-Fructopyranose, 1-deoxy-1-[[2-[[hydroxy[(2R)-2-hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]ethyl]amino]- [ACD/Index Name]
Amadori-LPE 18:2/0:0
Am-LPE(18:2(9Z,12Z)0:0)
N-(1-deoxyfructosyl)-1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 790.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 431.7±35.7 °C
Index of Refraction: 1.536
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 214 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 516.4±3.0 cm3

Click to predict properties on the Chemicalize site


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