ChemSpider 2D Image | (4S,5R)-1,4-Dihydroxy-5-nonadecanyl dihydrogen phosphate | C19H41O6P

(4S,5R)-1,4-Dihydroxy-5-nonadecanyl dihydrogen phosphate

  • Molecular FormulaC19H41O6P
  • Average mass396.499 Da
  • Monoisotopic mass396.264069 Da
  • ChemSpider ID128441596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5R)-1,4-Dihydroxy-5-nonadecanyl dihydrogen phosphate [ACD/IUPAC Name]
(4S,5R)-1,4-Dihydroxy-5-nonadecanyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,4,5-Nonadecanetriol, 5-(dihydrogen phosphate), (4S,5R)- [ACD/Index Name]
Dihydrogénophosphate de (4S,5R)-1,4-dihydroxy-5-nonadécanyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4483388/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 290.0±32.9 °C
Index of Refraction: 1.488
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 363.5±3.0 cm3

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