ChemSpider 2D Image | (2S)-3-(1H-Indol-3-yl)-2-({(2S)-4-methyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoate (non-preferred name) | C23H32N3O10P

(2S)-3-(1H-Indol-3-yl)-2-({(2S)-4-methyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoate (non-preferred name)

  • Molecular FormulaC23H32N3O10P
  • Average mass541.489 Da
  • Monoisotopic mass541.183655 Da
  • ChemSpider ID34947232
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S)-3-(1H-Indol-3-yl)-2-({(2S)-4-methyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-3-(1H-Indol-3-yl)-2-({(2S)-4-methyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoate (non-preferred name) [ACD/IUPAC Name]
(2S)-3-(1H-Indol-3-yl)-2-({(2S)-4-méthyl-2-[({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}phosphinato)amino]pentanoyl}amino)propanoate (non-preferred name) [French] [ACD/IUPAC Name]
10.1016/j.bmc.2013.07.052

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 226 Å2
Polarizability:
Surface Tension:
Molar Volume:

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