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ChemSpider 2D Image | (2S)-2-({(2S)-2-[(Hydroxy{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl)amino]-4-methylpentanoyl}amino)-3-(1H-indol-3-yl)propanoic acid | C23H34N3O10P

(2S)-2-({(2S)-2-[(Hydroxy{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl)amino]-4-methylpentanoyl}amino)-3-(1H-indol-3-yl)propanoic acid

  • Molecular FormulaC23H34N3O10P
  • Average mass543.504 Da
  • Monoisotopic mass543.198181 Da
  • ChemSpider ID58866
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(2S)-2-({(2S)-2-[(Hydroxy{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl)amino]-4-methylpentanoyl}amino)-3-(1H-indol-3-yl)propanoic acid [ACD/IUPAC Name]
(2S)-2-({(2S)-2-[(Hydroxy{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl)amino]-4-methylpentanoyl}amino)-3-(1H-indol-3-yl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({(2S)-2-[(hydroxy{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}phosphoryl)amino]-4-méthylpentanoyl}amino)-3-(1H-indol-3-yl)propanoïque [French] [ACD/IUPAC Name]
(S)-2-{(S)-2-[Hydroxy-((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site






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