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6027-21-0 molecular structure
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(2R)-2-amino-4-hydroxybutanoic acid

ChemBase ID: 67641
Molecular Formular: C4H9NO3
Molecular Mass: 119.11916
Monoisotopic Mass: 119.05824315
SMILES and InChIs

SMILES:
C(=O)([C@H](N)CCO)O
Canonical SMILES:
OCC[C@H](C(=O)O)N
InChI:
InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
InChIKey:
UKAUYVFTDYCKQA-GSVOUGTGSA-N

Cite this record

CBID:67641 http://www.chembase.cn/molecule-67641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-4-hydroxybutanoic acid
IUPAC Traditional name
D-homoserine
Synonyms
D-Homoserine
D-Homoserine
(R)-(+)-2-Amino-4-hydroxybutyric acid
(2R)-2-amino-4-hydroxybutanoic acid
D-高丝氨酸
(R)-(+)-2-氨基-4-羟基丁酸
CAS Number
6027-21-0
MDL Number
MFCD00077786
Beilstein Number
1721680
PubChem SID
24895614
162033376
PubChem CID
2724170

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2233198  H Acceptors
H Donor LogD (pH = 5.5) -3.8276682 
LogD (pH = 7.4) -3.8344793  Log P -3.8277326 
Molar Refractivity 26.9064 cm3 Polarizability 10.868561 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
182 - 184°C expand Show data source
205 °C (dec.) expand Show data source
205 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D +9.0±1°, c = 2% in H2O expand Show data source
[α]20/D +9°, c = 5 in H2O expand Show data source
Hydrophobicity(logP)
-3.116 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (CHN) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
Optical Purity
ee: 97% (GLC) expand Show data source
Linear Formula
HOCH2CH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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