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Search term: 74849556 (Found by CSID)
ChemSpider 2D Image | O-[(3-{[9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine | C43H72NO12P

O-[(3-{[9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine

  • Molecular FormulaC43H72NO12P
  • Average mass826.005 Da
  • Monoisotopic mass825.479187 Da
  • ChemSpider ID74849556

More details:

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

2-Furanundecanoic acid, 3-methyl-5-propyl-, 2-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-1-[[[9-(3,4-dimethyl-5-propyl-2-furanyl)-1-oxononyl]oxy]methyl]ethyl ester [ACD/Index Name]
O-[(3-{[9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serin [German] [ACD/IUPAC Name]
O-[(3-{[9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]serine [ACD/IUPAC Name]
O-[(3-{[9-(3,4-Diméthyl-5-propyl-2-furyl)nonanoyl]oxy}-2-{[11-(3-méthyl-5-propyl-2-furyl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]sérine [French] [ACD/IUPAC Name]
2-amino-3-[(3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy(hydroxy)phosphoryl)oxy]propanoic acid
2-amino-3-{[(3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy)(hydroxy)phosphoryl]oxy}propanoic acid
PS(DiMe(9,3)/MonoMe(11,3))

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: 861.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 475.1±37.1 °C
Index of Refraction: 1.511
Molar Refractivity: 219.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 13.16
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 4397.44
ACD/KOC (pH 5.5): 1426.96
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 3446.03
ACD/KOC (pH 7.4): 1118.23
Polar Surface Area: 208 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 732.6±3.0 cm3

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