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10030-80-5 molecular structure
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6-(hydroxymethyl)oxane-2,3,4,5-tetrol

ChemBase ID: 172547
Molecular Formular: C6H12O6
Molecular Mass: 180.15588
Monoisotopic Mass: 180.0633881
SMILES and InChIs

SMILES:
O1C(C(C(C(C1CO)O)O)O)O
Canonical SMILES:
OCC1OC(O)C(C(C1O)O)O
InChI:
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKey:
WQZGKKKJIJFFOK-UHFFFAOYSA-N

Cite this record

CBID:172547 http://www.chembase.cn/molecule-172547.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(hydroxymethyl)oxane-2,3,4,5-tetrol
IUPAC Traditional name
d-galactose
Synonyms
L-Mannopyranose
L-(-)-Mannose
L-Mannose
CAS Number
10030-80-5
PubChem SID
164228457
PubChem CID
206

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M169000 external link Add to cart
PubChem 206 external link
Data Source Data ID Price
TRC
M169000 external link Add to cart Please log in.
Data Source Data ID
PubChem 206 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
White Powder expand Show data source
Melting Point
102-108°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download 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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