ChemSpider 2D Image | (1R,3'R,4R,6S,7R,11Z)-7-Hydroxy-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azoniabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane] | C19H28NO7

(1R,3'R,4R,6S,7R,11Z)-7-Hydroxy-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azoniabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]

  • Molecular FormulaC19H28NO7
  • Average mass382.428 Da
  • Monoisotopic mass382.186035 Da
  • ChemSpider ID5883853

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3'R,4R,6S,7R,11Z)-7-Hydroxy-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azoniabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane] [ACD/IUPAC Name]
Spiro[2,9-dioxa-14-azoniabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane], 7-hydroxy-3',6,7,14-tetramethyl-3,8,17-trioxo-, (1R,3'R,4R,6S,7R,11Z)- [ACD/Index Name]

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

ZINC05224362 [DBID]

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

Density:
Boiling Point: 614.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.53
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 46.55
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

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