ChemSpider 2D Image | (1'S,5'R)-10',17'-Dihydroxy-4'-methyl-4-methylene-3,4-dihydro-5H-spiro[furan-2,14'-[12]oxa[4]azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca[7(18),8,10]trien]-5-one | C21H23NO5

(1'S,5'R)-10',17'-Dihydroxy-4'-methyl-4-methylene-3,4-dihydro-5H-spiro[furan-2,14'-[12]oxa[4]azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca[7(18),8,10]trien]-5-one

  • Molecular FormulaC21H23NO5
  • Average mass369.411 Da
  • Monoisotopic mass369.157623 Da
  • ChemSpider ID29413528

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1'S,5'R)-10',17'-Dihydroxy-4'-methyl-4-methylene-3,4-dihydro-5H-spiro[furan-2,14'-[12]oxa[4]azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca[7(18),8,10]trien]-5-one [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.702
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 37.82
Polar Surface Area: 79 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 248.0±5.0 cm3

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