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(2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
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ChemBase ID:
160981
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Molecular Formular:
C30H65N3O3Si2
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Molecular Mass:
572.0264
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Monoisotopic Mass:
571.45644602
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SMILES and InChIs
SMILES:
OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)N=[N+]=[N-]
Canonical SMILES:
CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](N=[N+]=[N-])CO)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C30H65N3O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-27(35-37(8,9)29(2,3)4)28(26(25-34)32-33-31)36-38(10,11)30(5,6)7/h26-28,34H,12-25H2,1-11H3/t26-,27+,28-/m0/s1
InChIKey:
XIAFYLGSFHUSBQ-IARZGTGTSA-N
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Cite this record
CBID:160981 http://www.chembase.cn/molecule-160981.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
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IUPAC Traditional name
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(2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
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Synonyms
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(2S,3S,4R)-2-Azido-3,4-bis(tert-butyldimethylsilyl)-1,3,4-octadecanetriol
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(2S,3S,4R)-2-Azido-3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-octadecanol
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(2S,3S,4R)-2-Azido-3,4-bis[(tert-butyldimethylsilyl)oxy]-1-octadecanol
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.804113
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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9.4328
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LogD (pH = 7.4)
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9.4328
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Log P
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9.4929
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Molar Refractivity
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156.6221 cm3
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Polarizability
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66.10614 Å3
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Polar Surface Area
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68.12 Å2
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Rotatable Bonds
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23
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent