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87-72-9 molecular structure
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(4S,5S)-oxane-2,3,4,5-tetrol

ChemBase ID: 160782
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
[C@H]1([C@@H](C(C(OC1)O)O)O)O
Canonical SMILES:
O[C@H]1COC(C([C@H]1O)O)O
InChI:
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4?,5?/m0/s1
InChIKey:
SRBFZHDQGSBBOR-VVZXFQNISA-N

Cite this record

CBID:160782 http://www.chembase.cn/molecule-160782.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S,5S)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
(4S,5S)-oxane-2,3,4,5-tetrol
Synonyms
L-Arabinopyranose
Pectinose
L-Arabinose
CAS Number
87-72-9
PubChem SID
162254917
PubChem CID
25245970

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A764180 external link Add to cart
PubChem 25245970 external link
Data Source Data ID Price
TRC
A764180 external link Add to cart Please log in.
Data Source Data ID
PubChem 25245970 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.310624  H Acceptors
H Donor LogD (pH = 5.5) -2.3022048 
LogD (pH = 7.4) -2.3022575  Log P -2.3022044 
Molar Refractivity 29.9609 cm3 Polarizability 12.6405 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 Solid expand Show data source
Melting Point
143-151°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

TRC TRC
Toronto Research Chemicals - A764180 external link
A base component of hemicellulose and pectin, critical biopolymers.

REFERENCES

REFERENCES

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  • • Alcaro, S., et al.: Bioorg. Med. Chem., 12, 1781 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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