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73724-45-5 molecular structure
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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypropanoic acid

ChemBase ID: 152435
Molecular Formular: C18H17NO5
Molecular Mass: 327.33128
Monoisotopic Mass: 327.11067265
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1ccccc1C2COC(=O)N[C@@H](CO)C(=O)O
Canonical SMILES:
OC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C18H17NO5/c20-9-16(17(21)22)19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t16-/m0/s1
InChIKey:
JZTKZVJMSCONAK-INIZCTEOSA-N

Cite this record

CBID:152435 http://www.chembase.cn/molecule-152435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypropanoic acid
IUPAC Traditional name
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxypropanoic acid
Synonyms
Fmoc-L-serine
Fmoc-Ser-OH
N-(9-Fluorenylmethoxycarbonyl)-L-serine
Fmoc-Ser-OH
N-Fmoc-L-serine
Fmoc-L-丝氨酸
N-Fmoc-L-丝氨酸
CAS Number
73724-45-5
MDL Number
MFCD00051928
Beilstein Number
4715791
PubChem SID
162246580
24871200
PubChem CID
6541433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6541433 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6033852  H Acceptors
H Donor LogD (pH = 5.5) 0.10631502 
LogD (pH = 7.4) -1.3434483  Log P 1.9984071 
Molar Refractivity 86.1208 cm3 Polarizability 34.619328 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
102-106°C expand Show data source
Optical Rotation
[α]20/D -12.5±1°, c = 1% in DMF expand Show data source
+13.6 (c=1 in ethyl acetate) 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
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (sum of enantiomers, HPLC) expand Show data source
97+% expand Show data source
Empirical Formula (Hill Notation)
C18H17NO5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 47601 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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