Found 17 results

Search term: MF = 'C_{21}H_{27}ClO_{7}'
ChemSpider 2D Image | (1R)-1,5-Anhydro-1-(5-chloro-3,6-dimethoxy-11-oxatricyclo[6.2.1.0~2,7~]undeca-2,4,6,9-tetraen-1-yl)-2-deoxy-3,4,6-tri-O-methyl-D-arabino-hexitol | C21H27ClO7

(1R)-1,5-Anhydro-1-(5-chloro-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-2-deoxy-3,4,6-tri-O-methyl-D-arabino-hexitol

  • Molecular FormulaC21H27ClO7
  • Average mass426.888 Da
  • Monoisotopic mass426.144531 Da
  • ChemSpider ID26573408

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-(5-chlor-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-2-desoxy-3,4,6-tri-O-methyl-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-(5-chloro-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-2-deoxy-3,4,6-tri-O-methyl-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-(5-chloro-3,6-diméthoxy-11-oxatricyclo[6.2.1.02,7]undéca-2,4,6,9-tétraén-1-yl)-2-désoxy-3,4,6-tri-O-méthyl-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-1-C-(6-chloro-5,8-dimethoxy-1,4-epoxynaphthalen-1(4H)-yl)-2-deoxy-3,4,6-tri-O-methyl-, (1R)- [ACD/Index 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: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 161.6±30.2 °C
Index of Refraction: 1.565
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.45
ACD/KOC (pH 5.5): 2188.00
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.45
ACD/KOC (pH 7.4): 2188.00
Polar Surface Area: 65 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 328.0±5.0 cm3

Click to predict properties on the Chemicalize site


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