NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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sodium 3-(13C)methyl-2-oxo(4-13C)butanoate
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IUPAC Traditional name
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sodium 3-(13C)methyl-2-oxo(4-13C)butanoate
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Synonyms
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Sodium α-ketoisovalerate-3-(methyl-13C,d2),4-13C,d2
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2-Keto-3-(methyl-13C,d2)-butyric acid-4-13C,d2 sodium salt
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Sodium α-ketoisovalerate-3-(methyl-13C),4-13C
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2-Keto-3-(methyl-13C)-butyric acid-4-13C sodium salt
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Sodium α-ketoisovalerate-3-(methyl-13C),4-13C,3-d1
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2-Keto-3-methyl-13C-butyric-4-13C, 3-d acid sodium salt
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α-酮异戊酸钠-3-(甲基-13C,d2),4-13C,d2
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2-酮-3-(甲基-13C,d2)-丁酸-4-13C,d2 钠盐
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MDL Number
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MFCD07784343
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MFCD04118127
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MFCD08461004
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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
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.3715856
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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-0.8053445
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LogD (pH = 7.4)
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-2.1005332
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Log P
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1.309396
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Molar Refractivity
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38.0282 cm3
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Polarizability
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10.506555 Å3
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Polar Surface Area
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57.2 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
589063
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Packaging 100 mg in glass bottle This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service. |
Sigma Aldrich -
634379
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Packaging 250 mg in glass bottle This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service. |
Sigma Aldrich -
571334
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Packaging 100 mg in glass bottle This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service. |
PATENTS
PATENTS
PubChem Patent
Google Patent