Found 3 results

Search term: REZOEBXINKYJRQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N'-[(1R,2R,3S,4S,5S)-5-Amino-4-[(3-glycoloylphenyl)amino]-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acid | C28H38N4O9

N'-[(1R,2R,3S,4S,5S)-5-Amino-4-[(3-glycoloylphenyl)amino]-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acid

  • Molecular FormulaC28H38N4O9
  • Average mass574.623 Da
  • Monoisotopic mass574.263855 Da
  • ChemSpider ID57261732

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Acide N'-[(1R,2R,3S,4S,5S)-5-amino-2,3-dihydroxy-4-{[3-(2-hydroxyacétyl)phényl]amino}-1-[(1S)-1-hydroxyéthyl]-3-{[(2-hydroxy-6-méthylbenzoyl)oxy]méthyl}-2-méthylcyclopentyl]-N,N-diméthylcarbamimidique [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-6-methyl-, [(1S,2R,3R,4S,5S)-4-amino-3-[[(dimethylamino)hydroxymethylene]amino]-1,2-dihydroxy-5-[[3-(2-hydroxyacetyl)phenyl]amino]-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]m ethyl ester [ACD/Index Name]
N'-[(1R,2R,3S,4S,5S)-5-Amino-4-[(3-glycoloylphenyl)amino]-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acid [ACD/IUPAC Name]
N'-[(1R,2R,3S,4S,5S)-5-Amino-4-[(3-glycoloylphenyl)amino]-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidsäure [German] [ACD/IUPAC Name]
104820-97-5 [RN]
8''-Hydroxypactamycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 780.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.7±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 410.4±7.0 cm3

Click to predict properties on the Chemicalize site


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