ChemSpider 2D Image | (2R,3R,4S)-1-Chloro-4-(methoxymethoxy)-6-heptene-2,3-diol | C9H17ClO4

(2R,3R,4S)-1-Chloro-4-(methoxymethoxy)-6-heptene-2,3-diol

  • Molecular FormulaC9H17ClO4
  • Average mass224.682 Da
  • Monoisotopic mass224.081543 Da
  • ChemSpider ID77413943

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-1-Chlor-4-(methoxymethoxy)-6-hepten-2,3-diol [German] [ACD/IUPAC Name]
(2R,3R,4S)-1-Chloro-4-(methoxymethoxy)-6-heptene-2,3-diol [ACD/IUPAC Name]
(2R,3R,4S)-1-Chloro-4-(méthoxyméthoxy)-6-heptène-2,3-diol [French] [ACD/IUPAC Name]
6-Heptene-2,3-diol, 1-chloro-4-(methoxymethoxy)-, (2R,3R,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 166.8±27.9 °C
Index of Refraction: 1.481
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 90.18
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 90.18
Polar Surface Area: 59 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

Click to predict properties on the Chemicalize site


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