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62133-03-3 molecular structure
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(4'aS,7'R)-2',2',5,5-tetramethyl-tetrahydro-2'H-spiro[1,4-dioxolane-2,6'-furo[3,2-d][1,3]dioxine]-7'-ol

ChemBase ID: 167765
Molecular Formular: C12H20O6
Molecular Mass: 260.2836
Monoisotopic Mass: 260.12598836
SMILES and InChIs

SMILES:
[C@H]12C([C@@H](C3(O1)COC(O3)(C)C)O)OC(OC2)(C)C
Canonical SMILES:
O[C@H]1C2OC(C)(C)OC[C@@H]2OC21COC(O2)(C)C
InChI:
InChI=1S/C12H20O6/c1-10(2)14-5-7-8(17-10)9(13)12(16-7)6-15-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8?,9+,12?/m0/s1
InChIKey:
QJEJCBLGJUDCTN-WWWOOCFRSA-N

Cite this record

CBID:167765 http://www.chembase.cn/molecule-167765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4'aS,7'R)-2',2',5,5-tetramethyl-tetrahydro-2'H-spiro[1,4-dioxolane-2,6'-furo[3,2-d][1,3]dioxine]-7'-ol
IUPAC Traditional name
(4'aS,7'R)-2',2',5,5-tetramethyl-tetrahydrospiro[1,4-dioxolane-2,6'-furo[3,2-d][1,3]dioxine]-7'-ol
Synonyms
1,2:4,6-Bis-O-(1-methylethylidene)-L-sorbofuranose
1,2:4,6-Di-O-isopropylidene-L-sorbofuranose
CAS Number
62133-03-3
PubChem SID
162261898
PubChem CID
71316216

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D459275 external link Add to cart
PubChem 71316216 external link
Data Source Data ID Price
TRC
D459275 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316216 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.151576  H Acceptors
H Donor LogD (pH = 5.5) 0.6468498 
LogD (pH = 7.4) 0.64684224  Log P 0.64684993 
Molar Refractivity 60.7748 cm3 Polarizability 24.877773 Å3
Polar Surface Area 66.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
73-75°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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