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72432-03-2 molecular structure
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(3R,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

ChemBase ID: 174627
Molecular Formular: C8H17NO5
Molecular Mass: 207.22428
Monoisotopic Mass: 207.11067265
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C(CN(C1CO)CCO)O)O)O
Canonical SMILES:
OCCN1CC(O)[C@H]([C@@H](C1CO)O)O
InChI:
InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5?,6?,7-,8-/m1/s1
InChIKey:
IBAQFPQHRJAVAV-DWYQZRHDSA-N

Cite this record

CBID:174627 http://www.chembase.cn/molecule-174627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
IUPAC Traditional name
(3R,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Synonyms
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
[2R-(2α,3β,4α,5β)]-1-(2-Hydroxyethyl)-2-(hydroxymethyl)3,4,5-piperidinetrio
BAY 1099
BAY-m 1099
Diastabol
Glyset
N-(2-Hydroxyethyl)-1-deoxynojirimycin
N-(2-Hydroxyethyl)moranoline
Seibule
Miglitol
CAS Number
72432-03-2
PubChem SID
164230537
PubChem CID
71749029

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M344200 external link Add to cart
PubChem 71749029 external link
Data Source Data ID Price
TRC
M344200 external link Add to cart Please log in.
Data Source Data ID
PubChem 71749029 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.901322  H Acceptors
H Donor LogD (pH = 5.5) -5.2772155 
LogD (pH = 7.4) -3.6036737  Log P -3.1927972 
Molar Refractivity 48.1614 cm3 Polarizability 19.51395 Å3
Polar Surface Area 104.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
145-147°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

TRC TRC
Toronto Research Chemicals - M344200 external link
A potent α-glucosidase inhibitor. A new antidiabetic drug.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lembcke, B., et al.: Digestion, 31, 120 (1985)
  • • Yoshikuni, Y., et al.: J. Pharmacobio-Dyn., 11, 356 (1985)
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PATENTS

PATENTS

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INTERNET

INTERNET

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