ChemSpider 2D Image | (4S,11S)-1,1,14,14-Tetrakis(4-methoxyphenyl)-2,13-dioxa-6,9-diazatetradecane-4,11-diol | C38H48N2O8

(4S,11S)-1,1,14,14-Tetrakis(4-methoxyphenyl)-2,13-dioxa-6,9-diazatetradecane-4,11-diol

  • Molecular FormulaC38H48N2O8
  • Average mass660.796 Da
  • Monoisotopic mass660.341064 Da
  • ChemSpider ID24635762

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,11S)-1,1,14,14-Tetrakis(4-methoxyphenyl)-2,13-dioxa-6,9-diazatetradecan-4,11-diol [German] [ACD/IUPAC Name]
(4S,11S)-1,1,14,14-Tetrakis(4-methoxyphenyl)-2,13-dioxa-6,9-diazatetradecane-4,11-diol [ACD/IUPAC Name]
(4S,11S)-1,1,14,14-Tétrakis(4-méthoxyphényl)-2,13-dioxa-6,9-diazatétradécane-4,11-diol [French] [ACD/IUPAC Name]
2,13-Dioxa-6,9-diazatetradecane-4,11-diol, 1,1,14,14-tetrakis(4-methoxyphenyl)-, (4S,11S)- [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: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 186.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 5.74
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 127.74
ACD/KOC (pH 7.4): 362.90
Polar Surface Area: 120 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 564.8±3.0 cm3

Click to predict properties on the Chemicalize site


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