ChemSpider 2D Image | [11-({2-[(1S,2R,3S)-3-Hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}amino)-11-oxoundecyl]sulfamic acid | C36H45N5O5S

[11-({2-[(1S,2R,3S)-3-Hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}amino)-11-oxoundecyl]sulfamic acid

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID7985599

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[11-({2-[(1S,2R,3S)-3-Hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}amino)-11-oxoundecyl]sulfamic acid [ACD/IUPAC Name]
[11-({2-[(1S,2R,3S)-3-Hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl}amino)-11-oxoundecyl]sulfamidsäure [German] [ACD/IUPAC Name]
Acide [11-({2-[(1S,2R,3S)-3-hydroxy-3-phényl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phényl}amino)-11-oxoundécyl]sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[11-[[2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl]amino]-11-oxoundecyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 184.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.99
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 162 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 519.2±3.0 cm3

Click to predict properties on the Chemicalize site


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