ChemSpider 2D Image | [(1S,2R,7S,9S,10R,14R,15S)-10-Hydroxy-1,5,12-trimethyl-2H-spiro[8,13-dioxa-11-azatetracyclo[7.5.1.0~2,7~.0~10,14~]pentadeca-5,11-diene-15,2'-oxiran]-2-yl]methyl acetate | C19H25NO6

[(1S,2R,7S,9S,10R,14R,15S)-10-Hydroxy-1,5,12-trimethyl-2H-spiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxiran]-2-yl]methyl acetate

  • Molecular FormulaC19H25NO6
  • Average mass363.405 Da
  • Monoisotopic mass363.168182 Da
  • ChemSpider ID25996205

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(1S,2R,7S,9S,10R,14R,15S)-10-Hydroxy-1,5,12-trimethyl-2H-spiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxiran]-2-yl]methyl acetate [ACD/IUPAC Name]
2'-METHYL-15-ACETOXY-3-HYDROXY-12,13-EPOXYTRICHOTHECENO[3,4-D]OXAZOLE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 249.7±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 89.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.57
ACD/KOC (pH 5.5): 99.39
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.20
ACD/KOC (pH 7.4): 113.23
Polar Surface Area: 90 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 239.0±7.0 cm3

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