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71989-33-8 molecular structure
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(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

ChemBase ID: 103260
Molecular Formular: C22H25NO5
Molecular Mass: 383.4376
Monoisotopic Mass: 383.17327291
SMILES and InChIs

SMILES:
CC(C)(C)OC[C@H](NC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O
Canonical SMILES:
O=C(N[C@H](C(=O)O)COC(C)(C)C)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey:
REITVGIIZHFVGU-IBGZPJMESA-N

Cite this record

CBID:103260 http://www.chembase.cn/molecule-103260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
IUPAC Traditional name
(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
Synonyms
Fmoc-O-tert-butyl-L-serine
Fmoc-Ser(tBu)-OH
Fmoc-Ser(tBu)-OH
N-α-FMOC-O-t-BUTYL-L-SERINE
Fmoc-O-叔丁基-L-丝氨酸
CAS Number
71989-33-8
EC Number
276-260-6
MDL Number
MFCD00037127
Beilstein Number
3632013
PubChem SID
162090853
24871218
PubChem CID
2724633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2724633 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.830807  H Acceptors
H Donor LogD (pH = 5.5) 2.0230463 
LogD (pH = 7.4) 0.4475298  Log P 3.6954932 
Molar Refractivity 104.6776 cm3 Polarizability 42.052715 Å3
Polar Surface Area 84.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Optical Rotation
[α]20/D +25.5±1°, c = 1% in ethyl acetate expand Show data source
Storage Condition
0°C 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
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
≥98.0% (HPLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C22H25NO5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 47619 external link
Packaging
10, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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