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632-13-3 molecular structure
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(2S)-3-amino-2-hydroxypropanoic acid

ChemBase ID: 158442
Molecular Formular: C3H7NO3
Molecular Mass: 105.09258
Monoisotopic Mass: 105.04259309
SMILES and InChIs

SMILES:
C([C@@H](C(=O)O)O)N
Canonical SMILES:
NC[C@@H](C(=O)O)O
InChI:
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKey:
BMYNFMYTOJXKLE-REOHCLBHSA-N

Cite this record

CBID:158442 http://www.chembase.cn/molecule-158442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-3-amino-2-hydroxypropanoic acid
IUPAC Traditional name
(2S)-3-amino-2-hydroxypropanoic acid
Synonyms
(S)-2-Hydroxy-β-alanine
(S)-3-Amino-2-hydroxypropionic acid
L-Isoserine
(2S)-3-amino-2-hydroxypropanoic acid
(S)-2-羟基-β-丙氨酸
(S)-3-氨基-2-羟基丙酸
L-异丝氨酸
CAS Number
632-13-3
MDL Number
MFCD03428326
PubChem SID
24845907
162252578
PubChem CID
6999797

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6999797 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.193472  H Acceptors
H Donor LogD (pH = 5.5) -3.8899539 
LogD (pH = 7.4) -3.8903162  Log P -3.8887994 
Molar Refractivity 22.041 cm3 Polarizability 9.0643015 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
197-198°C expand Show data source
Hydrophobicity(logP)
-4.138 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (TLC) expand Show data source
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C3H7NO3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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