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

ChemBase ID: 107419
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
O[C@H]1COC(O)[C@H](O)[C@H]1O
Canonical SMILES:
O[C@H]1COC([C@@H]([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-HWQSCIPKSA-N

Cite this record

CBID:107419 http://www.chembase.cn/molecule-107419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S,5S)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
L-arabinopyranose
Synonyms
L-ARABINOSE
CAS Number
87-72-9
PubChem SID
162093212
PubChem CID
439195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203652 external link Add to cart Please log in.
Data Source Data ID
PubChem 439195 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

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203652 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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