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20881-04-3 molecular structure
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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

ChemBase ID: 287282
Molecular Formular: C11H18O5
Molecular Mass: 230.25762
Monoisotopic Mass: 230.11542368
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

Cite this record

CBID:287282 http://www.chembase.cn/molecule-287282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
IUPAC Traditional name
(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
Synonyms
1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose
CAS Number
20881-04-3
MDL Number
MFCD00063224
PubChem SID
180672813
PubChem CID
30337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD13445 Please log in.
Data Source Data ID
PubChem 30337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1026449  LogD (pH = 7.4) 1.1026449 
Log P 1.1026449  Molar Refractivity 54.3749 cm3
Polarizability 22.373707 Å3 Polar Surface Area 46.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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