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ChemSpider 2D Image | 3-[(Hydroxy{[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate | C41H80O16P2

3-[(Hydroxy{[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC41H80O16P2
  • Average mass891.012 Da
  • Monoisotopic mass890.492188 Da
  • ChemSpider ID11184540

More details:

Date of deprecation: 11:53, May 7, 2024
Reason for deprecation: Deprecate record:

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

3-[(Hydroxy{[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
3-[(Hydroxy{[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de 3-[(hydroxy{[2,3,5,6-tétrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1-[[[hydroxy[[2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 921.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 152.0±0.0 kJ/mol
Flash Point: 510.9±0.0 °C
Index of Refraction: 1.518
Molar Refractivity: 222.9±0.0 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 13.13
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 152933.33
ACD/KOC (pH 5.5): 9046.15
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 28323.82
ACD/KOC (pH 7.4): 1675.38
Polar Surface Area: 276 Å2
Polarizability: 88.4±0.0 10-24cm3
Surface Tension: 55.1±0.0 dyne/cm
Molar Volume: 735.0±0.0 cm3

Click to predict properties on the Chemicalize site


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