ChemSpider 2D Image | (1R,2S,3R,4R)-1-(1,3-Dioxolan-2-yl)-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,2,3,4-pentanetetrol | C14H26O11

(1R,2S,3R,4R)-1-(1,3-Dioxolan-2-yl)-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,2,3,4-pentanetetrol

  • Molecular FormulaC14H26O11
  • Average mass370.350 Da
  • Monoisotopic mass370.147522 Da
  • ChemSpider ID26265378

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2S,3R,4R)-1-(1,3-Dioxolan-2-yl)-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,2,3,4-pentanetetrol [ACD/IUPAC Name]
(1R,2S,3R,4R)-1-(1,3-Dioxolan-2-yl)-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-1,2,3,4-pentanetétrol [French] [ACD/IUPAC Name]
(1R,2S,3R,4R)-1-(1,3-Dioxolan-2-yl)-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-1,2,3,4-pentantetrol [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 736.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 399.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 179 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 234.8±5.0 cm3

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