ChemSpider 2D Image | 7-Spiro[indanyloxymorphone] | C25H25NO4

7-Spiro[indanyloxymorphone]

  • Molecular FormulaC25H25NO4
  • Average mass403.470 Da
  • Monoisotopic mass403.178345 Da
  • ChemSpider ID23310200

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'S,5'R,13'R,17'S)-10',17'-Dihydroxy-4'-methyl-1,3-dihydro-14'H-spiro[indene-2,15'-[12]oxa[4]azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca[7(18),8,10]trien]-14'-one [ACD/IUPAC Name]
(4'R,4a'S,7a'R,12b'S)-4a',9'-dihydroxy-3'-methyl-1,1',2',3,3',4',4a',5'-octahydrospiro[indene-2,6'-[4,12]methano[1]benzofuro[3,2-e]isoquinolin]-7'(7a'H)-one
150380-34-0 [RN]
7-Spiro[indanyloxymorphone]
(1'S,5'R,13'R,17'S)-10',17'-dihydroxy-4'-methyl-1,3-dihydro-12'-oxa-4'-azaspiro[indene-2,15'-pentacyclo[9.6.1.01,13.05,17.07,18]octadecane]-7',9',11'(18')-trien-14'-one
7-spiroindanyloxymorphone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399708/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.742
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 46.66
ACD/KOC (pH 7.4): 321.90
Polar Surface Area: 70 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 272.8±5.0 cm3

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