ChemSpider 2D Image | N-[(2S)-3-Hydroxy-1-({(2S)-1-[(2R)-2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}amino)-1-oxo-2-propanyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxamide | C26H38N2O9

N-[(2S)-3-Hydroxy-1-({(2S)-1-[(2R)-2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}amino)-1-oxo-2-propanyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxamide

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID8068638

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Naphthalenecarboxamide, 1,2,3,4-tetrahydro-N-[(1S)-1-(hydroxymethyl)-2-[[(1S)-1-[[(2R)-2-(hydroxymethyl)oxiranyl]carbonyl]-3-methylbutyl]amino]-2-oxoethyl]-5,6,7-trimethoxy- [ACD/Index Name]
N-[(2S)-3-Hydroxy-1-({(2S)-1-[(2R)-2-(hydroxyméthyl)-2-oxiranyl]-4-méthyl-1-oxo-2-pentanyl}amino)-1-oxo-2-propanyl]-5,6,7-triméthoxy-1,2,3,4-tétrahydro-2-naphtalènecarboxamide [French] [ACD/IUPAC Name]
N-[(2S)-3-Hydroxy-1-({(2S)-1-[(2R)-2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}amino)-1-oxo-2-propanyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxamide [ACD/IUPAC Name]
N-[(2S)-3-Hydroxy-1-({(2S)-1-[(2R)-2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}amino)-1-oxo-2-propanyl]-5,6,7-trimethoxy-1,2,3,4-tetrahydro-2-naphthalincarboxamid [German] [ACD/IUPAC 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: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.35
ACD/KOC (pH 5.5): 145.06
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 145.06
Polar Surface Area: 156 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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