ChemSpider 2D Image | (1S,9R,10R)-17-(Cyclopropylmethyl)-13-oxa-17-azatetracyclo[7.5.3.0~1,10~.0~2,7~]heptadeca-2,4,6-trien-4-ol | C19H25NO2

(1S,9R,10R)-17-(Cyclopropylmethyl)-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

  • Molecular FormulaC19H25NO2
  • Average mass299.407 Da
  • Monoisotopic mass299.188538 Da
  • ChemSpider ID21476727
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,9R,10R)-17-(Cyclopropylmethyl)-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1S,9R,10R)-17-(Cyclopropylmethyl)-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1S,9R,10R)-17-(Cyclopropylméthyl)-13-oxa-17-azatétracyclo[7.5.3.01,10.02,7]heptadéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
3H-5,10b-(Iminoethano)-1H-naphtho[1,2-c]pyran-9-ol, 13-(cyclopropylmethyl)-4,4a,5,6-tetrahydro-, (4aR,5R,10bS)- [ACD/Index Name]
69815-38-9 [RN]
Proxorphan
UNII-TFE8T279QV

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

UNII:TFE8T279QV [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 472.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 239.7±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 37.22
Polar Surface Area: 33 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 239.2±5.0 cm3

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