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133-51-7 molecular structure
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(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; oxostibinic acid

ChemBase ID: 128240
Molecular Formular: C7H18NO8Sb
Molecular Mass: 365.97972
Monoisotopic Mass: 365.00705654
SMILES and InChIs

SMILES:
O=[Sb](=O)O.O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CNC)CO
Canonical SMILES:
O[Sb](=O)=O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI:
InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1
InChIKey:
XOGYVDXPYVPAAQ-SESJOKTNSA-M

Cite this record

CBID:128240 http://www.chembase.cn/molecule-128240.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; oxostibinic acid
IUPAC Traditional name
N-methyl-D(-)-glucamine; oxostibinic acid
Synonyms
Meglumine antimoniate
CAS Number
133-51-7
PubChem SID
162222549
PubChem CID
64953
ATC CODE
QP51AB01
P01CB01
CHEMBL
239129
Chemspider ID
58479
Wikipedia Title
Meglumine_antimoniate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.649772  H Acceptors
H Donor LogD (pH = 5.5) -6.4926486 
LogD (pH = 7.4) -5.11365  Log P -3.4043202 
Molar Refractivity 44.8357 cm3 Polarizability 18.39889 Å3
Polar Surface Area 113.18 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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