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Pseudomonic acid F

CAT: 0926-SGA84264-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-SGA84264-01Size:1 mg
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CAS Number
167842-64-0
Smiles
C1CSCN1C (=N) N
Molecular Formula
C24H40O9
Molecular Weight
472.60 g/mol
Controlled
No

Chemical Information

DE(8-carboxyoctyl)6-carboxyhexylmupirocin
CAS Number167842-64-0
PubChem CID72941720
IUPAC Name7-[(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]oxyheptanoic acid
Molecular FormulaC24H40O9
Molecular Weight472.6
XLogP1.9
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count33
Formal Charge0
Complexity664
SMILES
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)OCCCCCCC(=O)O)/C)[C@H](C)O
InChI
InChI=1S/C24H40O9/c1-14(11-21(28)31-9-7-5-4-6-8-20(26)27)10-18-23(30)22(29)17(13-32-18)12-19-24(33-19)15(2)16(3)25/h11,15-19,22-25,29-30H,4-10,12-13H2,1-3H3,(H,26,27)/b14-11+/t15-,16-,17-,18-,19-,22+,23-,24-/m0/s1
InChIKey
MIVFEJHUAUQOLX-XUUZYBQDSA-N
Chemical Structure
2D Structure
2D structure of DE(8-carboxyoctyl)6-carboxyhexylmupirocin
CAS: 167842-64-0
CID: 72941720
Formula: C24H40O9
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass472.26723285
Monoisotopic Mass472.26723285
Topological Polar Surface Area146 Ų
Heavy Atom Count33
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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