ChemSpider 2D Image | (2S)-1-(3-[(2R)-2-Hydroxypropoxy]-2,2-bis{[(2R)-2-hydroxypropoxy]methyl}propoxy)-2-propanol | C17H36O8

(2S)-1-(3-[(2R)-2-Hydroxypropoxy]-2,2-bis{[(2R)-2-hydroxypropoxy]methyl}propoxy)-2-propanol

  • Molecular FormulaC17H36O8
  • Average mass368.463 Da
  • Monoisotopic mass368.241028 Da
  • ChemSpider ID25060881
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S)-1-(3-[(2R)-2-Hydroxypropoxy]-2,2-bis{[(2R)-2-hydroxypropoxy]methyl}propoxy)-2-propanol [ACD/IUPAC Name]
(2S)-1-(3-[(2R)-2-Hydroxypropoxy]-2,2-bis{[(2R)-2-hydroxypropoxy]methyl}propoxy)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-(3-[(2R)-2-Hydroxypropoxy]-2,2-bis{[(2R)-2-hydroxypropoxy]méthyl}propoxy)-2-propanol [French] [ACD/IUPAC Name]
(2s)-1-[3-{[(2r)-2-Hydroxypropyl]oxy}-2,2-Bis({[(2r)-2-Hydroxypropyl]oxy}methyl)propoxy]propan-2-Ol
PXN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.486
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.02
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.02
Polar Surface Area: 118 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

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