ChemSpider 2D Image | (1R,2S,4R,5R,8R,11R)-9-Formyl-2-(hydroxymethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylate | C20H27O4

(1R,2S,4R,5R,8R,11R)-9-Formyl-2-(hydroxymethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID76963165

  • Charge - Charge

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,2S,4R,5R,8R,11R)-9-Formyl-2-(hydroxymethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carboxylat [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,11R)-9-Formyl-2-(hydroxymethyl)-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,11R)-9-Formyl-2-(hydroxyméthyl)-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylate [French] [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylato, 4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-8a-(hydroxymethyl)-7-methyl-3-(1-methylethyl)-, ion(1-), (1R,3aR,4aR,7R,7aR,8aS)- [ACD/Index Name]
Sordaricin
sordaricin(1-)

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

Density:
Boiling Point: 465.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 249.6±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 5.90
ACD/KOC (pH 5.5): 44.71
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement