ChemSpider 2D Image | N-(4-{(2R,4R,5S,6S)-4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)acetamide | C37H58N2O4

N-(4-{(2R,4R,5S,6S)-4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)acetamide

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID5138329

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, N-[4-[(2R,4R,5S,6S)-4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
N-(4-{(2R,4R,5S,6S)-4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)acetamid [German] [ACD/IUPAC Name]
N-(4-{(2R,4R,5S,6S)-4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)acetamide [ACD/IUPAC Name]
N-(4-{(2R,4R,5S,6S)-4-[(Dioctylamino)méthyl]-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl}phényl)acétamide [French] [ACD/IUPAC Name]

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

DIOX2_025167 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.4±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.78
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 4056.75
ACD/KOC (pH 5.5): 1966.62
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 107504.21
ACD/KOC (pH 7.4): 52115.64
Polar Surface Area: 71 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 576.2±3.0 cm3

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