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

ChemBase ID: 2943
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES:
O[C@H]1CO[C@@H]([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-KLVWXMOXSA-N

Cite this record

CBID:2943 http://www.chembase.cn/molecule-2943.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
β-L-arabinopyranose
Synonyms
Beta-L-Arabinose
L-(+)-Arabinose
L-(+)-阿拉伯糖
CAS Number
87-72-9
5328-37-0
EC Number
201-767-6
MDL Number
MFCD00067709
Beilstein Number
1723085
Merck Index
14761
PubChem SID
160966390
PubChem CID
439764

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A11921 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
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 
Log P -2.57  LOG S 0.91 
Solubility (Water) 1.22e+03 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
155-160°C expand Show data source
Optical Rotation
+104 (c=10 in water, 24h) expand Show data source
TSCA Listed
expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB03246 external link
Drug information: experimental

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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