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147-81-9 molecular structure
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(2R,4S,5S)-oxane-2,3,4,5-tetrol

ChemBase ID: 302167
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O
Canonical SMILES:
O[C@H]1CO[C@H](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-AYXYYLOCSA-N

Cite this record

CBID:302167 http://www.chembase.cn/molecule-302167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4S,5S)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
(2R,4S,5S)-oxane-2,3,4,5-tetrol
Synonyms
DL-Arabinose
DL-树胶醛糖
CAS Number
147-81-9
EC Number
205-699-8
MDL Number
MFCD00135867
Beilstein Number
1723086
Merck Index
14761

DATA SOURCES

DATA SOURCES

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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)
Melting Point
158-160°C expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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