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2-amino-3-hydroxy(1,2,3-14C3)propanoic acid
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ChemBase ID:
131435
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Molecular Formular:
C3H7NO3
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Molecular Mass:
111.07020597
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Monoisotopic Mass:
111.05231906
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SMILES and InChIs
SMILES:
[14CH2]([14CH]([14C](=O)O)N)O
Canonical SMILES:
O[14CH2][14CH]([14C](=O)O)N
InChI:
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i1+2,2+2,3+2
InChIKey:
MTCFGRXMJLQNBG-FIXSIXJRSA-N
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Cite this record
CBID:131435 http://www.chembase.cn/molecule-131435.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-amino-3-hydroxy(1,2,3-14C3)propanoic acid
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IUPAC Traditional name
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2-amino-3-hydroxy(1,2,3-14C3)propanoic acid
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Synonyms
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(S)-(+)-Serine-UL-14C
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L-Serine-UL-14C hydrochloride
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CAS Number
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MDL 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
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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2.03399
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-3.8875728
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LogD (pH = 7.4)
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-3.8992038
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Log P
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-3.8877351
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Molar Refractivity
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22.041 cm3
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Polarizability
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9.0643015 Å3
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Polar Surface Area
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83.55 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
PATENTS
PATENTS
PubChem Patent
Google Patent