ChemSpider 2D Image | (2R,3R,4S,5R,6S)-1,2,3,4,5,6,7-Heptaneheptol | C7H16O7

(2R,3R,4S,5R,6S)-1,2,3,4,5,6,7-Heptaneheptol

  • Molecular FormulaC7H16O7
  • Average mass212.198 Da
  • Monoisotopic mass212.089600 Da
  • ChemSpider ID26324543
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2R,3R,4S,5R,6S)-1,2,3,4,5,6,7-Heptaneheptol [ACD/IUPAC Name]
(2R,3R,4S,5R,6S)-1,2,3,4,5,6,7-Heptaneheptol [French] [ACD/IUPAC Name]
(2R,3R,4S,5R,6S)-1,2,3,4,5,6,7-Heptanheptol [German] [ACD/IUPAC Name]
D-glycero-D-gluco-Heptitol [ACD/Index Name]
(2R,3R,4S,5R,6S)-Heptane-1,2,3,4,5,6,7-heptaol
(2R,3R,5R,6S)-Heptane-1,2,3,4,5,6,7-heptol
?-Mannoheptitol
[527-06-0]
488-38-0 [RN]
D-glycero-D-galacto-Heptitol [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 625.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 319.0±24.7 °C
Index of Refraction: 1.618
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -5.69
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 108.4±3.0 dyne/cm
Molar Volume: 128.5±3.0 cm3

Click to predict properties on the Chemicalize site






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