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

ChemBase ID: 109023
Molecular Formular: C7H9NO3S
Molecular Mass: 187.21626
Monoisotopic Mass: 187.03031415
SMILES and InChIs

SMILES:
N[C@@H](C(O)c1cccs1)C(=O)O
Canonical SMILES:
OC(=O)[C@H](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)/t5-,6?/m0/s1
InChIKey:
GNUCLSFLDHLOBV-ZBHICJROSA-N

Cite this record

CBID:109023 http://www.chembase.cn/molecule-109023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-hydroxy-3-(thiophen-2-yl)propanoic acid
IUPAC Traditional name
(2S)-2-amino-3-hydroxy-3-(thiophen-2-yl)propanoic acid
Synonyms
2-β-THIENYLSERINE
CAS Number
32595-59-8
EC Number
251-122-8
PubChem SID
162094485
PubChem CID
22807369

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05209569 external link Add to cart Please log in.
Data Source Data ID
PubChem 22807369 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)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05209569 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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