Found 65 results

Search term: MF = 'C_{32}H_{56}N_{2}O_{2}'
ChemSpider 2D Image | (2S,5S)-5-(Hydroxymethyl)-2-icosyl-1-methyl-1,4,5,6-tetrahydro-1,4-benzodiazocin-3(2H)-one | C32H56N2O2

(2S,5S)-5-(Hydroxymethyl)-2-icosyl-1-methyl-1,4,5,6-tetrahydro-1,4-benzodiazocin-3(2H)-one

  • Molecular FormulaC32H56N2O2
  • Average mass500.799 Da
  • Monoisotopic mass500.434174 Da
  • ChemSpider ID23229748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-5-(Hydroxymethyl)-2-icosyl-1-methyl-1,4,5,6-tetrahydro-1,4-benzodiazocin-3(2H)-on [German] [ACD/IUPAC Name]
(2S,5S)-5-(Hydroxymethyl)-2-icosyl-1-methyl-1,4,5,6-tetrahydro-1,4-benzodiazocin-3(2H)-one [ACD/IUPAC Name]
(2S,5S)-5-(Hydroxyméthyl)-2-icosyl-1-méthyl-1,4,5,6-tétrahydro-1,4-benzodiazocin-3(2H)-one [French] [ACD/IUPAC Name]
1,4-Benzodiazocin-3(2H)-one, 2-eicosyl-1,4,5,6-tetrahydro-5-(hydroxymethyl)-1-methyl-, (2S,5S)- [ACD/Index Name]
(2S,5S)-5-Hydroxymethyl-2-icosyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4]diazocin-3-one
CHEMBL352025
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352025/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 655.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.5±28.7 °C
Index of Refraction: 1.493
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 10.04
ACD/LogD (pH 5.5): 9.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5441668.50
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5480673.00
Polar Surface Area: 53 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 528.6±3.0 cm3

Click to predict properties on the Chemicalize site


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