Found 21 results

Search term: MF = 'C_{45}H_{87}O_{13}P'
ChemSpider 2D Image | 3-[(6-O-Phosphonohexopyranosyl)oxy]-1,2-propanediyl dioctadecanoate | C45H87O13P

3-[(6-O-Phosphonohexopyranosyl)oxy]-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC45H87O13P
  • Average mass867.138 Da
  • Monoisotopic mass866.588440 Da
  • ChemSpider ID320262

More details:

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

3-[(6-O-Phosphonohexopyranosyl)oxy]-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
3-[(6-O-Phosphonohexopyranosyl)oxy]-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de 3-[(6-O-phosphonohexopyranosyl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 1-[[(6-O-phosphonohexopyranosyl)oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]

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

NCI60_006892 [DBID]
NSC623122 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 892.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.3±6.0 kJ/mol
Flash Point: 493.4±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 231.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 17.02
ACD/LogD (pH 5.5): 10.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 303292.44
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 774413.25
ACD/KOC (pH 7.4): 34930.88
Polar Surface Area: 208 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 779.0±5.0 cm3

Click to predict properties on the Chemicalize site


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