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11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid
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ChemBase ID:
38490
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Molecular Formular:
C26H33NO4
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Molecular Mass:
423.54452
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Monoisotopic Mass:
423.24095854
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SMILES and InChIs
SMILES:
C(CCCCCC(=O)O)CCCCNC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
OC(=O)CCCCCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C26H33NO4/c28-25(29)17-7-5-3-1-2-4-6-12-18-27-26(30)31-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h8-11,13-16,24H,1-7,12,17-19H2,(H,27,30)(H,28,29)
InChIKey:
IMEVDILDSCXKJW-UHFFFAOYSA-N
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Cite this record
CBID:38490 http://www.chembase.cn/molecule-38490.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid
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IUPAC Traditional name
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11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid
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Synonyms
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Fmoc-11-aminoundecanoic acid
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11-(Fmoc-amino)undecanoic acid
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Fmoc-11-Aun-OH
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11-(Fmoc-氨基)十一酸
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.9520197
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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5.458402
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LogD (pH = 7.4)
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3.699267
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Log P
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6.1142073
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Molar Refractivity
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121.7446 cm3
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Polarizability
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48.740627 Å3
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Polar Surface Area
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75.63 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent