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Pseudomonic Acid C

CAT: 0024-sc-476426Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-476426Size:10 mg
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CAS Number
71980-98-8

Chemical Information

Pseudomonic acid C

Pseudomonic acid C is an aliphatic alcohol.

CAS Number71980-98-8
PubChem CID10413058
IUPAC Name9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid
Molecular FormulaC26H44O8
Molecular Weight484.6
XLogP3.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count34
Formal Charge0
Complexity659
SMILES
C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O
InChI
InChI=1S/C26H44O8/c1-18(16-24(30)33-14-9-7-5-4-6-8-13-23(28)29)15-22-26(32)25(31)21(17-34-22)12-10-11-19(2)20(3)27/h10-11,16,19-22,25-27,31-32H,4-9,12-15,17H2,1-3H3,(H,28,29)/b11-10+,18-16+/t19-,20+,21+,22+,25-,26+/m1/s1
InChIKey
KKMHFUKZHJOMJL-WZLBZGCNSA-N
Chemical Structure
2D Structure
2D structure of Pseudomonic acid C
CAS: 71980-98-8
CID: 10413058
Formula: C26H44O8
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass484.30361836
Monoisotopic Mass484.30361836
Topological Polar Surface Area134 Ų
Heavy Atom Count34
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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QBA98051Pseudomonic acid B
IP176593-01Pseudomonic acid D sodium
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