Found 30 results

Search term: MF = 'C_{29}H_{47}N_{5}O_{8}'
ChemSpider 2D Image | (2S)-6-Amino-2-[(3-{4-[(5-isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]hexanamide (non-preferred name) | C29H47N5O8

(2S)-6-Amino-2-[(3-{4-[(5-isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]hexanamide (non-preferred name)

  • Molecular FormulaC29H47N5O8
  • Average mass593.712 Da
  • Monoisotopic mass593.342468 Da
  • ChemSpider ID8591488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-6-Amino-2-[(3-{4-[(5-isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]hexanamid (non-preferred n ame) [German] [ACD/IUPAC Name]
(2S)-6-Amino-2-[(3-{4-[(5-isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)methyl]-3-methylphenoxy}propyl)amino]hexanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-6-Amino-2-[(3-{4-[(5-isopropyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-1H-pyrazol-4-yl)méthyl]-3-méthylphénoxy}propyl)amino]hexanamide (non-preferred name) [French] [ACD/IUPAC Name]
Hexanamide, 6-amino-2-[[3-[4-[[3-(β-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-methylphenoxy]propyl]amino]-, (2S)- [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: 867.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 478.3±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

Click to predict properties on the Chemicalize site


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