ChemSpider 2D Image | (37Z)-19-Hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.0~1,21~.0~2,18~.0~5,17~.0~8,16~.0~9,14~.0~20,32~.0~22,30~]tetraconta-8(16),9,11,13,37-pentaene | C39H57N4O2

(37Z)-19-Hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaene

  • Molecular FormulaC39H57N4O2
  • Average mass613.894 Da
  • Monoisotopic mass613.446533 Da
  • ChemSpider ID21433002
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

(37Z)-19-Hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen [German] [ACD/IUPAC Name]
(37Z)-19-Hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaene [ACD/IUPAC Name]
(37Z)-19-Hydroxy-4-(2-oxopropyl)-15-aza-5,22,32-triazonianonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tétraconta-8(16),9,11,13,37-pentaène [French] [ACD/IUPAC Name]
2-Propanone, 1-[(23Z)-1,2,3,4,5,6,7,7a,7c,8,11,12,17,17b,17c,18-hexadecahydro-18-hydroxy-9H,19aH-19,19,7b-([3]octenoazanetriylmethano)azonino[1',2':1,2][1]benzazeto[4,3-a]indolo[3,2-h]quinolizin-9-yl] -, conjugate triacid [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 16.99
ACD/KOC (pH 7.4): 29.92
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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