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7473-45-2 molecular structure
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(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

ChemBase ID: 174210
Molecular Formular: C6H12O5
Molecular Mass: 164.15648
Monoisotopic Mass: 164.06847348
SMILES and InChIs

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

Cite this record

CBID:174210 http://www.chembase.cn/molecule-174210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
IUPAC Traditional name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
Synonyms
NSC 400285
Methyl β-D-Ribofuranoside
CAS Number
7473-45-2
PubChem SID
164230120
PubChem CID
81983

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M325960 external link Add to cart
PubChem 81983 external link
Data Source Data ID Price
TRC
M325960 external link Add to cart Please log in.
Data Source Data ID
PubChem 81983 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.277875  H Acceptors
H Donor LogD (pH = 5.5) -1.6590779 
LogD (pH = 7.4) -1.6590835  Log P -1.6590778 
Molar Refractivity 34.7121 cm3 Polarizability 14.50232 Å3
Polar Surface Area 79.15 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
Melting Point
74-76°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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  • • Heath, P. et al.: J. Chem. Soc. Perkin Trans., 1, 2675-2679 (1983)
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PATENTS

PATENTS

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INTERNET

INTERNET

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