Home > Compound List > Compound details
83480-29-9 molecular structure
click picture or here to close

(2S,3R,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

ChemBase ID: 179553
Molecular Formular: C10H21NO7
Molecular Mass: 267.27624
Monoisotopic Mass: 267.13180202
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C([C@H](CC1(CO)O)NC(CO)CO)O)O)O
Canonical SMILES:
OCC(N[C@H]1CC(O)(CO)[C@H]([C@@H](C1O)O)O)CO
InChI:
InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7?,8+,9-,10?/m0/s1
InChIKey:
FZNCGRZWXLXZSZ-PYLAIRLGSA-N

Cite this record

CBID:179553 http://www.chembase.cn/molecule-179553.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
IUPAC Traditional name
(2S,3R,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Synonyms
3,4-Dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-(hydroxymethyl)-D-epiinositol
N-(1,3-Dihydroxy-2-propyl)valiolamine
A 71100
AO 128
Basen
Glustat
Voglibose
CAS Number
83480-29-9
PubChem SID
164235463
PubChem CID
45357542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC V750000 external link Add to cart
PubChem 45357542 external link
Data Source Data ID Price
TRC
V750000 external link Add to cart Please log in.
Data Source Data ID
PubChem 45357542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.9796877  LogD (pH = 7.4) -5.301458 
Log P -4.8527865  Molar Refractivity 59.5467 cm3
Polarizability 24.53386 Å3 Polar Surface Area 153.64 Å2
Rotatable Bonds Lipinski's Rule of Five false 
Acid pKa 12.455839 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
162-163°C expand Show data source
Storage Condition
-20°C Freezer 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 - V750000 external link
An α-Glucosidase inhibitor used as an antidiabetic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Matsuo, T., et al.: Am. J. Clin. Nutr., 55, 314S (1992)
  • • Goke, B., et al.: Digestion, 56, 493 (1992)
  • • Shinozaki, K., et al.: Metabolism, 45, 731 (1996)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle