ChemSpider 2D Image | (1E,3R,4R,5R,6S)-6-Chloro-1-[2-(hydroxymethyl)-3-methoxyphenyl]-1-heptene-3,4,5-triol | C15H21ClO5

(1E,3R,4R,5R,6S)-6-Chloro-1-[2-(hydroxymethyl)-3-methoxyphenyl]-1-heptene-3,4,5-triol

  • Molecular FormulaC15H21ClO5
  • Average mass316.777 Da
  • Monoisotopic mass316.107758 Da
  • ChemSpider ID40256634

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1E,3R,4R,5R,6S)-6-Chlor-1-[2-(hydroxymethyl)-3-methoxyphenyl]-1-hepten-3,4,5-triol [German] [ACD/IUPAC Name]
(1E,3R,4R,5R,6S)-6-Chloro-1-[2-(hydroxymethyl)-3-methoxyphenyl]-1-heptene-3,4,5-triol [ACD/IUPAC Name]
(1E,3R,4R,5R,6S)-6-Chloro-1-[2-(hydroxyméthyl)-3-méthoxyphényl]-1-heptène-3,4,5-triol [French] [ACD/IUPAC Name]
1-Heptene-3,4,5-triol, 6-chloro-1-[2-(hydroxymethyl)-3-methoxyphenyl]-, (1E,3R,4R,5R,6S)- [ACD/Index Name]
Varioxiranol D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 43.20
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 43.20
Polar Surface Area: 90 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 239.7±3.0 cm3

Click to predict properties on the Chemicalize site


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