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3262-72-4 molecular structure
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(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid

ChemBase ID: 69804
Molecular Formular: C8H15NO5
Molecular Mass: 205.2084
Monoisotopic Mass: 205.09502259
SMILES and InChIs

SMILES:
C(=O)([C@@H](NC(=O)OC(C)(C)C)CO)O
Canonical SMILES:
OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKey:
FHOAKXBXYSJBGX-YFKPBYRVSA-N

Cite this record

CBID:69804 http://www.chembase.cn/molecule-69804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid
IUPAC Traditional name
(2S)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoic acid
Synonyms
N-Boc-L-serine
N-(tert-Butoxycarbonyl)-L-serine
Boc-L-serine
Boc-Ser-OH
N-α-t-BOC-L-SERINE
N-Boc-L-Serine
Boc-Ser-OH
N-Boc-L-丝氨酸
N-(叔丁氧羰基)-L-丝氨酸
Boc-L-丝氨酸
CAS Number
3262-72-4
EC Number
221-867-3
MDL Number
MFCD00037243
Beilstein Number
2212252
PubChem SID
162035529
24849323
24862099
PubChem CID
98766

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7772732  H Acceptors
H Donor LogD (pH = 5.5) -1.8576726 
LogD (pH = 7.4) -3.4061964  Log P -0.1335239 
Molar Refractivity 46.914 cm3 Polarizability 18.691622 Å3
Polar Surface Area 95.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
90-91°C dec. expand Show data source
91 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D -3.5±0.5°, c = 2% in acetic acid expand Show data source
[α]20/D -3°, c = 2 in acetic acid expand Show data source
-3.5 (c=2 in acetic acid) expand Show data source
Storage Condition
0°C 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
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥99.0% (T) expand Show data source
95+% expand Show data source
98% expand Show data source
98% (dry wt.), may cont. up to 10% water expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HOCH2CH(COOH)NHCOOC(CH3)3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B8751 external link
Application
肽合成中的结构单元。用于通过 β-内酯合成各种 α-氨基酸的原料。
Sigma Aldrich - 15500 external link
Application
Building block in peptide synthesis. Starting material for the synthesis of various α-amino acids via the β-lactone.
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 359696 external link
Application
Building block in peptide synthesis. Starting material for the synthesis of various α-amino acids via the β-lactone.
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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