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32595-59-8 molecular structure
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2-amino-3-hydroxy-3-(thiophen-2-yl)propanoic acid

ChemBase ID: 102179
Molecular Formular: C7H9NO3S
Molecular Mass: 187.21626
Monoisotopic Mass: 187.03031415
SMILES and InChIs

SMILES:
NC(C(O)c1cccs1)C(=O)O
Canonical SMILES:
OC(=O)C(C(c1cccs1)O)N
InChI:
InChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKey:
GNUCLSFLDHLOBV-UHFFFAOYSA-N

Cite this record

CBID:102179 http://www.chembase.cn/molecule-102179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-hydroxy-3-(thiophen-2-yl)propanoic acid
IUPAC Traditional name
2-amino-3-hydroxy-3-(thiophen-2-yl)propanoic acid
Synonyms
DL-β-(2-Thienyl)serine
H-beta-(2-thienyl)-DL-Ser-OH
β-(2-THIENYL)-DL-SERINE
CAS Number
32595-59-8
EC Number
251-122-8
MDL Number
MFCD00067304
PubChem SID
24900249
162088597
PubChem CID
98096

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 98096 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2909174  H Acceptors
H Donor LogD (pH = 5.5) -2.1889384 
LogD (pH = 7.4) -2.2077603  Log P -2.1893234 
Molar Refractivity 43.2137 cm3 Polarizability 17.273 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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