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(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
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ChemBase ID:
287282
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Molecular Formular:
C11H18O5
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Molecular Mass:
230.25762
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Monoisotopic Mass:
230.11542368
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SMILES and InChIs
SMILES:
CC1(O[C@H]2[C@@H](CO1)O[C@H]1[C@@H]2OC(O1)(C)C)C
Canonical SMILES:
CC1(C)OC[C@@H]2[C@H](O1)[C@H]1OC(O[C@H]1O2)(C)C
InChI:
InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKey:
NKZDPBSWYPINNF-BZNPZCIMSA-N
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Cite this record
CBID:287282 http://www.chembase.cn/molecule-287282.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
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IUPAC Traditional name
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(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
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Synonyms
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1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose
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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
H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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1.1026449
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LogD (pH = 7.4)
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1.1026449
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Log P
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1.1026449
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Molar Refractivity
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54.3749 cm3
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Polarizability
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22.373707 Å3
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Polar Surface Area
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46.15 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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95+%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent