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Search term: UBZPNQRBUOBBLN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S)-3-Hydroxy-2-{[(1-{[({(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]-1-piperidinyl}carbonyl)oxy]methyl}-3-pyridiniumyl)carbonyl]amino}propanoate | C25H29N3O8

(2S)-3-Hydroxy-2-{[(1-{[({(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]-1-piperidinyl}carbonyl)oxy]methyl}-3-pyridiniumyl)carbonyl]amino}propanoate

  • Molecular FormulaC25H29N3O8
  • Average mass499.513 Da
  • Monoisotopic mass499.195465 Da
  • ChemSpider ID81367537
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S)-3-Hydroxy-2-{[(1-{[({(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]-1-piperidinyl}carbonyl)oxy]methyl}-3-pyridiniumyl)carbonyl]amino}propanoat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-{[(1-{[({(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]-1-piperidinyl}carbonyl)oxy]methyl}-3-pyridiniumyl)carbonyl]amino}propanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-{[(1-{[({(2R)-2-[(1R)-2-méthoxy-2-oxo-1-phényléthyl]-1-pipéridinyl}carbonyl)oxy]méthyl}-3-pyridiniumyl)carbonyl]amino}propanoate [French] [ACD/IUPAC Name]
L-Serine, N-[[1-[[[[(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]-1-piperidinyl]carbonyl]oxy]methyl]-3-pyridiniumyl]carbonyl]-, inner salt [ACD/Index Name]
1996626-29-9 [RN]
Serdexmethylphenidate

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: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 149 Å2
Polarizability:
Surface Tension:
Molar Volume:

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