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(2R,3S,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
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ChemBase ID:
137654
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Molecular Formular:
C18H38O4Si2
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Molecular Mass:
374.66292
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Monoisotopic Mass:
374.23086276
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SMILES and InChIs
SMILES:
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@@H](C=CO1)O[Si](C)(C)C(C)(C)C)O
Canonical SMILES:
O[C@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-13-15-16(19)14(11-12-20-15)22-24(9,10)18(4,5)6/h11-12,14-16,19H,13H2,1-10H3/t14-,15-,16-/m1/s1
InChIKey:
JVPOCCACFOBDEV-BZUAXINKSA-N
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Cite this record
CBID:137654 http://www.chembase.cn/molecule-137654.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3S,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
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IUPAC Traditional name
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(2R,3S,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
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Synonyms
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3,6-Di-O-(tert-butyldimethylsilyl)-D-galactal
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3,6-二-O-(叔丁基二甲基甲硅烷基)-D-半乳醛
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CAS Number
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MDL 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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13.094732
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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3.9289
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LogD (pH = 7.4)
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3.928899
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Log P
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3.9289
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Molar Refractivity
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93.4753 cm3
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Polarizability
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41.478455 Å3
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Polar Surface Area
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47.92 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent