ChemSpider 2D Image | N-[(2R)-2-(3-{5-[(1S)-1-Amino-2-methoxy-2-oxoethyl]-3-methoxy-2-methylphenoxy}-4-methoxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-D-phenylalanine | C34H41N3O10

N-[(2R)-2-(3-{5-[(1S)-1-Amino-2-methoxy-2-oxoethyl]-3-methoxy-2-methylphenoxy}-4-methoxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-D-phenylalanine

  • Molecular FormulaC34H41N3O10
  • Average mass651.703 Da
  • Monoisotopic mass651.279175 Da
  • ChemSpider ID8502395

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Phenylalanine, N-[(2R)-2-[3-[5-[(1S)-1-amino-2-methoxy-2-oxoethyl]-3-methoxy-2-methylphenoxy]-4-methoxyphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]- [ACD/Index Name]
N-[(2R)-2-(3-{5-[(1S)-1-Amino-2-methoxy-2-oxoethyl]-3-methoxy-2-methylphenoxy}-4-methoxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-D-phenylalanin [German] [ACD/IUPAC Name]
N-[(2R)-2-(3-{5-[(1S)-1-Amino-2-methoxy-2-oxoethyl]-3-methoxy-2-methylphenoxy}-4-methoxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-D-phenylalanine [ACD/IUPAC Name]
N-[(2R)-2-(3-{5-[(1S)-1-Amino-2-méthoxy-2-oxoéthyl]-3-méthoxy-2-méthylphénoxy}-4-méthoxyphényl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétyl]-D-phénylalanine [French] [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: 820.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 450.2±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.75
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 185 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 521.1±3.0 cm3

Click to predict properties on the Chemicalize site


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