ChemSpider 2D Image | (1S,2S,4S,5Z,12S,13R,16Z)-13-Hydroxy-11,22-diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]heptacosa-5,16,25-triene-25-carbaldehyde | C26H38N2O2

(1S,2S,4S,5Z,12S,13R,16Z)-13-Hydroxy-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-triene-25-carbaldehyde

  • Molecular FormulaC26H38N2O2
  • Average mass410.592 Da
  • Monoisotopic mass410.293335 Da
  • ChemSpider ID24823437

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,4S,5Z,12S,13R,16Z)-13-Hydroxy-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-25-carbaldehyd [German] [ACD/IUPAC Name]
(1S,2S,4S,5Z,12S,13R,16Z)-13-Hydroxy-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-triene-25-carbaldehyde [ACD/IUPAC Name]
(1S,2S,4S,5Z,12S,13R,16Z)-13-Hydroxy-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-triène-25-carbaldéhyde [French] [ACD/IUPAC Name]
3H-7,2-[3]Octeno-1H-azocino[1',2':1,5]pyrrolo[2,3-i]isoquinoline-5-carboxaldehyde, 4,4a,7,7a,9,10,11,12,14a,15-decahydro-7-hydroxy-, (4aS,7R,7aS,13Z,14aS,15aS,18Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.98
ACD/KOC (pH 5.5): 14.67
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 304.12
ACD/KOC (pH 7.4): 1120.68
Polar Surface Area: 44 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 350.3±5.0 cm3

Click to predict properties on the Chemicalize site


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