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111524-95-9 molecular structure
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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-phenylacetic acid

ChemBase ID: 38688
Molecular Formular: C23H19NO4
Molecular Mass: 373.40126
Monoisotopic Mass: 373.13140809
SMILES and InChIs

SMILES:
c1cccc(c1)[C@H](C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
O=C(N[C@H](c1ccccc1)C(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKey:
PCJHOCNJLMFYCV-OAQYLSRUSA-N

Cite this record

CBID:38688 http://www.chembase.cn/molecule-38688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-phenylacetic acid
IUPAC Traditional name
(R)-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}(phenyl)acetic acid
Synonyms
Fmoc-D-α-phenylglycine
Fmoc-D-Phg-OH
Fmoc-D-phenylglycine
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-phenylacetic acid
Fmoc-D-α-苯基甘氨酸
CAS Number
111524-95-9
MDL Number
MFCD00190891
Beilstein Number
5309006
PubChem SID
161001995
24844988
PubChem CID
2756108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2756108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7060661  H Acceptors
H Donor LogD (pH = 5.5) 2.620036 
LogD (pH = 7.4) 1.1099627  Log P 4.4129825 
Molar Refractivity 104.4411 cm3 Polarizability 41.751896 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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
GHS Hazard statements
H413 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
≥98.0% expand Show data source
95+% expand Show data source
Empirical Formula (Hill Notation)
C23H19NO4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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