ChemSpider 2D Image | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-Acetyl-L-threonyl)amino]-3-methyl-4-pentenoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | C36H66N10O10

N2-[(2R,5S)-5-({(2S,3S)-2-[(N-Acetyl-L-threonyl)amino]-3-methyl-4-pentenoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide

  • Molecular FormulaC36H66N10O10
  • Average mass798.970 Da
  • Monoisotopic mass798.496338 Da
  • ChemSpider ID26327101

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Argininamide, N2-[(2R,5S)-5-[[(2S,3S)-2-[[(2S,3R)-2-(acetylamino)-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxo-4-penten-1-yl]amino]-2-butyl-4,4-dihydroxy-1-oxononyl]-L-glutaminyl- [ACD/Index Name]
N2-[(2R,5S)-5-({(2S,3S)-2-[(N-Acetyl-L-threonyl)amino]-3-methyl-4-pentenoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamid [German] [ACD/IUPAC Name]
N2-[(2R,5S)-5-({(2S,3S)-2-[(N-Acetyl-L-threonyl)amino]-3-methyl-4-pentenoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide [ACD/IUPAC Name]
N2-[(2R,5S)-5-({(2S,3S)-2-[(N-Acétyl-L-thréonyl)amino]-3-méthyl-4-pentenoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide [French] [ACD/IUPAC Name]
N2-[(2r,5s)-5-({(2s,3s)-2-[(N-Acetyl-L-Threonyl)amino]-3-Methylpent-4-Enoyl}amino)-2-Butyl-4,4-Dihydroxynonanoyl]-L-Glutaminyl-L-Argininamide

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: 1.592
Molar Refractivity: 202.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 16
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 598.4±7.0 cm3

Click to predict properties on the Chemicalize site


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