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Mupirocin lithium salt

CAT: 0063-90018994-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
73346-79-9
Molecular Formula
C_{26}H_{43}LiO_{9}
Molecular Weight
506306
Formulation
C_{26}H_{43}LiO_{9}

Chemical Information

Lithium 9-(((2E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)oxan-2-yl)-3-methylbut-2-enoyl)oxy)nonanoate

See also: Mupirocin (annotation moved to).

CAS Number73346-79-9
PubChem CID71311795
IUPAC Namelithium 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
Molecular FormulaC26H43LiO9
Molecular Weight506.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count36
Formal Charge0
Complexity701
SMILES
[Li+].C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)[C@H](C)O
InChI
InChI=1S/C26H44O9.Li/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21-,24+,25-,26-;/m0./s1
InChIKey
XFIKMPRBSORKQP-JATHGWPISA-M
Chemical Structure
2D Structure
2D structure of Lithium 9-(((2E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)oxan-2-yl)-3-methylbut-2-enoyl)oxy)nonanoate
CAS: 73346-79-9
CID: 71311795
Formula: C26H43LiO9
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass506.30671138
Monoisotopic Mass506.30671138
Topological Polar Surface Area149 Ų
Heavy Atom Count36
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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