ChemSpider 2D Image | (2R,3S,4S)-2-(Hydroxymethyl)dihydro-2H-pyran-2,3,4,5,5(6H)-pentol (non-preferred name) | C6H12O7

(2R,3S,4S)-2-(Hydroxymethyl)dihydro-2H-pyran-2,3,4,5,5(6H)-pentol (non-preferred name)

  • Molecular FormulaC6H12O7
  • Average mass196.155 Da
  • Monoisotopic mass196.058304 Da
  • ChemSpider ID61410388

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,4S)-2-(Hydroxymethyl)dihydro-2H-pyran-2,3,4,5,5(6H)-pentol (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4S)-2-(Hydroxymethyl)dihydro-2H-pyran-2,3,4,5,5(6H)-pentol (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4S)-2-(Hydroxyméthyl)dihydro-2H-pyrane-2,3,4,5,5(6H)-pentol (non-preferred name) [French] [ACD/IUPAC Name]
73960-91-5 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 434.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 216.6±28.7 °C
Index of Refraction: 1.720
Molar Refractivity: 38.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 131 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 126.6±3.0 dyne/cm
Molar Volume: 97.9±3.0 cm3

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