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159631-29-5 molecular structure
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pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}acetate

ChemBase ID: 157856
Molecular Formular: C24H16F5NO4
Molecular Mass: 477.380156
Monoisotopic Mass: 477.0999491
SMILES and InChIs

SMILES:
CN(CC(=O)Oc1c(c(c(c(c1F)F)F)F)F)C(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
O=C(Oc1c(F)c(F)c(c(c1F)F)F)CN(C(=O)OCC1c2ccccc2c2c1cccc2)C
InChI:
InChI=1S/C24H16F5NO4/c1-30(10-17(31)34-23-21(28)19(26)18(25)20(27)22(23)29)24(32)33-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
InChIKey:
PJYXJFOLTCMMLK-UHFFFAOYSA-N

Cite this record

CBID:157856 http://www.chembase.cn/molecule-157856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}acetate
IUPAC Traditional name
pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}acetate
Synonyms
Fmoc-sarcosine pentafluorophenyl ester
Fmoc-Sar-OPfp
Fmoc-肌氨酸五氟苯酯
CAS Number
159631-29-5
MDL Number
MFCD00237662
Beilstein Number
7452048
PubChem SID
24844996
162251992
PubChem CID
16211000

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
00233 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211000 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.404562  H Acceptors
H Donor LogD (pH = 5.5) 5.2175913 
LogD (pH = 7.4) 5.2175913  Log P 5.2175913 
Molar Refractivity 110.6086 cm3 Polarizability 42.40478 Å3
Polar Surface Area 55.84 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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
2-8°C expand Show data source
Purity
≥96.0% expand Show data source
Empirical Formula (Hill Notation)
C24H16F5NO4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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