NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(1R,2S)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]pyridin-1-ium-1-olate
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IUPAC Traditional name
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2-[(1R,2S)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]pyridin-1-ium-1-olate
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Synonyms
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(αS,βR)-α,β-Dihydroxy-2-pyridinepropanoic Acid Ethyl Ester, 1-Oxide
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Ethyl (2S, 3R)-2,3-Dihydroxy-3-(2-pyridinyl)propanoate, N-Oxide
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.385723
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-1.2720407
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LogD (pH = 7.4)
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-1.2720834
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Log P
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-1.2720386
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Molar Refractivity
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55.5626 cm3
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Polarizability
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21.231863 Å3
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Polar Surface Area
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92.22 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent