ChemSpider 2D Image | (2R,3S,4S,5S,6S)-5,6,7-Triacetoxy-1,2,3,4-heptanetetrayl tetraacetate | C21H30O14

(2R,3S,4S,5S,6S)-5,6,7-Triacetoxy-1,2,3,4-heptanetetrayl tetraacetate

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID62316764

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4S,5S,6S)-5,6,7-Triacetoxy-1,2,3,4-heptanetetrayl tetraacetate [ACD/IUPAC Name]
(2R,3S,4S,5S,6S)-5,6,7-Triacetoxy-1,2,3,4-heptantetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2S,3S,4S,5S,6R)-5,6,7-Triacetoxy-1,2,3,4-heptanetetrayl tetraacetate [ACD/IUPAC Name]
(2S,3S,4S,5S,6R)-5,6,7-Triacetoxy-1,2,3,4-heptantetrayl-tetraacetat [German] [ACD/IUPAC Name]
D-glycero-L-manno-Heptitol, heptaacetate [ACD/Index Name]
D-glycero-L-manno-Heptitol, heptaacetate, (4ξ)- [ACD/Index Name]
Tetraacétate de (2R,3S,4S,5S,6S)-5,6,7-triacétoxy-1,2,3,4-heptanetétrayle [French] [ACD/IUPAC Name]
Tetraacétate de (2S,3S,4S,5S,6R)-5,6,7-triacétoxy-1,2,3,4-heptanetétrayle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 221.6±30.2 °C
Index of Refraction: 1.468
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.54
ACD/KOC (pH 5.5): 85.97
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 85.97
Polar Surface Area: 184 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement