ChemSpider 2D Image | (2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-{3-(3-methoxypropoxy)-4-[(~2~H_3_)methyloxy]benzyl}-8-methylnonanamide | C30H50D3N3O6

(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-{3-(3-methoxypropoxy)-4-[(2H3)methyloxy]benzyl}-8-methylnonanamide

  • Molecular FormulaC30H50D3N3O6
  • Average mass554.777 Da
  • Monoisotopic mass554.412292 Da
  • ChemSpider ID57558115

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-{3-(3-methoxypropoxy)-4-[(2H3)methyloxy]benzyl}-8-methylnonanamid [German] [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-{3-(3-methoxypropoxy)-4-[(2H3)methyloxy]benzyl}-8-methylnonanamide [ACD/IUPAC Name]
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-diméthyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-{3-(3-méthoxypropoxy)-4-[(2H3)méthyloxy]benzyl}-8-méthylnonanamide [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-4-(methyl-d3-oxy)-, (αS,γS,δS,ζS)- [ACD/Index Name]
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-({3-(3-methoxypropoxy)-4-[(2H3)methyloxy]phenyl}methyl)-8-methyl-2-(propan-2-yl)nonanamide
1134152-28-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 748.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.514
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 146 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 517.0±3.0 cm3

Click to predict properties on the Chemicalize site


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