Found 1 result

Search term: 74849543 (Found by CSID)
ChemSpider 2D Image | O-[(3-{[13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine | C52H90NO12P

O-[(3-{[13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine

  • Molecular FormulaC52H90NO12P
  • Average mass952.244 Da
  • Monoisotopic mass951.620056 Da
  • ChemSpider ID74849543

More details:

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

2-Furantridecanoic acid, 3,4-dimethyl-5-pentyl-, 3-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-2-[[11-(3,4-dimethyl-5-pentyl-2-furanyl)-1-oxoundecyl]oxy]propyl ester [ACD/Index Name]
O-[(3-{[13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serin [German] [ACD/IUPAC Name]
O-[(3-{[13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine [ACD/IUPAC Name]
O-[(3-{[13-(3,4-Diméthyl-5-pentyl-2-furyl)tridecanoyl]oxy}-2-{[11-(3,4-diméthyl-5-pentyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]sérine [French] [ACD/IUPAC Name]
2-amino-3-[(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy(hydroxy)phosphoryl)oxy]propanoic acid
2-amino-3-{[(3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]oxy}propanoic acid
PS(DiMe(13,5)/DiMe(11,5))

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: 1.1±0.1 g/cm3
Boiling Point: 930.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.2±37.1 °C
Index of Refraction: 1.505
Molar Refractivity: 261.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 17.87
ACD/LogD (pH 5.5): 10.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 226268.09
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 177313.81
Polar Surface Area: 208 Å2
Polarizability: 103.6±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 880.9±3.0 cm3

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