ChemSpider 2D Image | 2-({2-[(Hydroxy{[(2R,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 (non-preferred name) | C23H34N3O10P

2-({2-[(Hydroxy{[(2R,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 (non-preferred name)

  • Molecular FormulaC23H34N3O10P
  • Average mass543.504 Da
  • Monoisotopic mass543.198181 Da
  • ChemSpider ID61760097

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2-({2-[(Hydroxy{[(2R,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 (non-preferred name) [ACD/IUPAC Name]
2-({2-[(Hydroxy{[(2R,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 (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-({2-[(hydroxy{[(2R,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 (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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

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