ChemSpider 2D Image | 1-(1-Hydroxybutoxy)-3-[(hydroxy{[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-propanyl butyrate | C17H35O19P3

1-(1-Hydroxybutoxy)-3-[(hydroxy{[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-propanyl butyrate

  • Molecular FormulaC17H35O19P3
  • Average mass636.370 Da
  • Monoisotopic mass636.098511 Da
  • ChemSpider ID21607756

More details:

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

1-(1-Hydroxybutoxy)-3-[(hydroxy{[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-propanyl butyrate [ACD/IUPAC Name]
1-(1-Hydroxybutoxy)-3-[(hydroxy{[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-propanylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 2-(1-hydroxybutoxy)-1-[[[hydroxy[[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]methyl]ethyl ester [ACD/Index Name]
Butyrate de 1-(1-hydroxybutoxy)-3-[(hydroxy{[2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 884.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 488.8±37.1 °C
Index of Refraction: 1.561
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -8.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 380.0±5.0 cm3

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