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Search term: RLIQDSPMEVUJOV-YRIWBWMDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1,2,4-Trideoxy-4-methyl-2-({N-[(1-methyl-5H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-xylitol | C36H43N3O6

1,2,4-Trideoxy-4-methyl-2-({N-[(1-methyl-5H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-xylitol

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID59053037

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,4-Trideoxy-4-methyl-2-({N-[(1-methyl-5H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-xylitol [ACD/IUPAC Name]
1,2,4-Tridesoxy-4-methyl-2-({N-[(1-methyl-5H-inden-2-yl)carbonyl]-D-alanyl-O-methyl-L-tyrosyl}amino)-1-phenyl-D-xylitol [German] [ACD/IUPAC Name]
1,2,4-Tridésoxy-4-méthyl-2-({N-[(1-méthyl-5H-indén-2-yl)carbonyl]-D-alanyl-O-méthyl-L-tyrosyl}amino)-1-phényl-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 1,2,4-trideoxy-2-[[(2S)-3-(4-methoxyphenyl)-2-[[(2R)-2-[[(1-methyl-5H-inden-2-yl)carbonyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-phenyl- [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: 989.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 552.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.65
ACD/KOC (pH 5.5): 1132.19
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.64
ACD/KOC (pH 7.4): 1132.18
Polar Surface Area: 137 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 490.2±5.0 cm3

Click to predict properties on the Chemicalize site


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