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112883-41-7 molecular structure
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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

ChemBase ID: 152768
Molecular Formular: C21H23NO4
Molecular Mass: 353.41162
Monoisotopic Mass: 353.16270822
SMILES and InChIs

SMILES:
CCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Canonical SMILES:
CCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey:
VCFCFPNRQDANPN-LJQANCHMSA-N

Cite this record

CBID:152768 http://www.chembase.cn/molecule-152768.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}hexanoic acid
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
IUPAC Traditional name
(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
Synonyms
Fmoc-D-norleucine
Fmoc-D-Nle-OH
FMoc-D-Norleucine
Fmoc-D-正亮氨酸
CAS Number
112883-41-7
MDL Number
MFCD00155639
Beilstein Number
8227505
PubChem SID
24871416
162246911
PubChem CID
2756111

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2756111 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.911652  H Acceptors
H Donor LogD (pH = 5.5) 2.8625107 
LogD (pH = 7.4) 1.2494445  Log P 4.456977 
Molar Refractivity 98.3031 cm3 Polarizability 39.52138 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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
≥98.0% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C21H23NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 47781 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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