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5328-63-2 molecular structure
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(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol

ChemBase ID: 105543
Molecular Formular: C6H12O5
Molecular Mass: 164.15648
Monoisotopic Mass: 164.06847348
SMILES and InChIs

SMILES:
O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC
Canonical SMILES:
CO[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKey:
ZBDGHWFPLXXWRD-ARQDHWQXSA-N

Cite this record

CBID:105543 http://www.chembase.cn/molecule-105543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol
IUPAC Traditional name
(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol
Synonyms
METHYL-β-D-ARABINO-PYRANOSIDE
CAS Number
5328-63-2
EC Number
226-215-1
PubChem SID
162092145
PubChem CID
6102754

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02191203 external link Add to cart Please log in.
Data Source Data ID
PubChem 6102754 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.24718  H Acceptors
H Donor LogD (pH = 5.5) -1.6590779 
LogD (pH = 7.4) -1.659084  Log P -1.6590778 
Molar Refractivity 34.712097 cm3 Polarizability 14.50232 Å3
Polar Surface Area 79.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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