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5996-10-1 molecular structure
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(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol hydrate

ChemBase ID: 106156
Molecular Formular: C6H14O7
Molecular Mass: 198.17116
Monoisotopic Mass: 198.07395279
SMILES and InChIs

SMILES:
O[C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO.O
Canonical SMILES:
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O.O
InChI:
InChI=1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H2/t2-,3-,4+,5-,6+;/m1./s1
InChIKey:
OSNSWKAZFASRNG-WNFIKIDCSA-N

Cite this record

CBID:106156 http://www.chembase.cn/molecule-106156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol hydrate
IUPAC Traditional name
α-glucose hydrate
Synonyms
DEXTROSE MONOHYDRATE, USP
CAS Number
5996-10-1
PubChem SID
162093128
PubChem CID
66370

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02199629 external link Add to cart Please log in.
Data Source Data ID
PubChem 66370 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.298101  H Acceptors
H Donor LogD (pH = 5.5) -2.93254 
LogD (pH = 7.4) -2.932594  Log P -2.9325392 
Molar Refractivity 35.9234 cm3 Polarizability 15.155883 Å3
Polar Surface Area 110.38 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
Download expand Show data source
Grade
USP expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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