Found 17 results

Search term: MF = 'C_{21}H_{27}ClO_{7}'
ChemSpider 2D Image | (3alpha,4beta,12xi)-4-(2-Chloroacetoxy)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl methacrylate | C21H27ClO7

(3α,4β,12ξ)-4-(2-Chloroacetoxy)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl methacrylate

  • Molecular FormulaC21H27ClO7
  • Average mass426.888 Da
  • Monoisotopic mass426.144531 Da
  • ChemSpider ID23226135

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3α,4β,12ξ)-4-(2-Chloracetoxy)-15-hydroxy-12,13-epoxytrichothec-9-en-3-ylmethacrylat [German] [ACD/IUPAC Name]
(3α,4β,12ξ)-4-(2-Chloroacetoxy)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl methacrylate [ACD/IUPAC Name]
(3α,4β,12ξ)-4-[(chloroacetyl)oxy]-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl 2-methylprop-2-enoate
2-Propenoic acid, 2-methyl-, (2ξ,3α,4β,12ξ)-4-[(2-chloroacetyl)oxy]-12,13-epoxy-15-hydroxytrichothec-9-en-3-yl ester [ACD/Index Name]
Méthacrylate de (3α,4β,12ξ)-4-(2-chloroacétoxy)-15-hydroxy-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
4β-(Chloroacetoxy)-15-(methacrylilixy)scirpen-3α-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.00
ACD/KOC (pH 5.5): 461.49
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.00
ACD/KOC (pH 7.4): 461.49
Polar Surface Area: 95 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


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