ChemSpider 2D Image | (1r,3s,5R,7S)-N-[8-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]-3-hydroxy-1-adamantanecarboxamide | C31H45N3O4S

(1r,3s,5R,7S)-N-[8-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]-3-hydroxy-1-adamantanecarboxamide

  • Molecular FormulaC31H45N3O4S
  • Average mass555.772 Da
  • Monoisotopic mass555.313049 Da
  • ChemSpider ID26328884

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3s,5R,7S)-N-[8-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]-3-hydroxy-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(1r,3s,5R,7S)-N-[8-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]-3-hydroxy-1-adamantanecarboxamide [ACD/IUPAC Name]
(1r,3s,5R,7S)-N-[8-({[5-(Diméthylamino)-1-naphtyl]sulfonyl}amino)octyl]-3-hydroxy-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.13,7]decane-1-carboxamide
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[8-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]octyl]-3-hydroxy-, (5R,7S)- [ACD/Index Name]
SAW

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4288.42
ACD/KOC (pH 5.5): 13793.28
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4354.79
ACD/KOC (pH 7.4): 14006.79
Polar Surface Area: 107 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

Click to predict properties on the Chemicalize site


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