ChemSpider 2D Image | MFCD00142644 | C37H49NO6

MFCD00142644

  • Molecular FormulaC37H49NO6
  • Average mass603.788 Da
  • Monoisotopic mass603.356018 Da
  • ChemSpider ID105294

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[(1-hydroxy-2-naphthalenyl)carbonyl]octadecylamino]- [ACD/Index Name]
26639-29-2 [RN]
5-(((1-HYDROXY-2-NAPHTHYL)CARBONYL)- OCTADECYLAMINO)ISOPHTHALIC ACID
5-[(1-Hydroxy-2-naphthoyl)(octadecyl)amino]isophthalic acid [ACD/IUPAC Name]
5-[(1-Hydroxy-2-naphthoyl)(octadecyl)amino]isophthalsäure [German] [ACD/IUPAC Name]
5-[[(1-Hydroxy-2-naphthalenyl)carbonyl]octadecylamino]-1,3-benzenedicarboxylic acid
Acide 5-[(1-hydroxy-2-naphtoyl)(octadécyl)amino]isophtalique [French] [ACD/IUPAC Name]
MFCD00142644
1,3-Benzenedicarboxylic acid, 5-(((1-hydroxy-2-naphthalenyl)carbonyl)octadecylamino)-
1-HYDROXY-N-OCTADECYL-N-(3,5-DICARBOXY-PHENYL)-2-NAPHTHAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 795.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 177.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 12.53
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 996461.00
ACD/KOC (pH 5.5): 106547.92
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 45923.20
ACD/KOC (pH 7.4): 4910.40
Polar Surface Area: 115 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 525.1±3.0 cm3

Click to predict properties on the Chemicalize site


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