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10030-85-0 molecular structure
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(2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate

ChemBase ID: 177495
Molecular Formular: C6H14O6
Molecular Mass: 182.17176
Monoisotopic Mass: 182.07903817
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C([C@@H](OC1C)O)O)O)O.O
Canonical SMILES:
O[C@H]1C(C)O[C@H](C([C@H]1O)O)O.O
InChI:
InChI=1S/C6H12O5.H2O/c1-2-3(7)4(8)5(9)6(10)11-2;/h2-10H,1H3;1H2/t2?,3-,4-,5?,6+;/m0./s1
InChIKey:
BNRKZHXOBMEUGK-FGASXDGJSA-N

Cite this record

CBID:177495 http://www.chembase.cn/molecule-177495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate
IUPAC Traditional name
(2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate
Synonyms
L-(+)-Rhamnopyranose Monohydrate
6-Deoxy-L-mannopyranose Monohydrate
L-Rhamnose Monohydrate
CAS Number
10030-85-0
PubChem SID
164233405
PubChem CID
24802504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC R315000 external link Add to cart
PubChem 24802504 external link
Data Source Data ID Price
TRC
R315000 external link Add to cart Please log in.
Data Source Data ID
PubChem 24802504 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.30218  H Acceptors
H Donor LogD (pH = 5.5) -1.8856299 
LogD (pH = 7.4) -1.8856835  Log P -1.8856293 
Molar Refractivity 34.3797 cm3 Polarizability 14.43744 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Stable at RT expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - R315000 external link
Composition of plum leaf polysaccharides.

REFERENCES

REFERENCES

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  • • Andrews, P., et al.: J. Chem. Soc., 4476 (1958)
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PATENTS

PATENTS

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INTERNET

INTERNET

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