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Antimycin A1

CAT: 0543-A127-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0543-A127-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
642-15-9
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C28H40N2O9
Molecular Weight
548.6
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Animicin A

See also: Antimycin A (annotation moved to).

CAS Number642-15-9
PubChem CID12550
IUPAC Name[3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Molecular FormulaC28H40N2O9
Molecular Weight548.6
XLogP5.3
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity849
SMILES
CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
InChI
InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)
InChIKey
UIFFUZWRFRDZJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Animicin A
CAS: 642-15-9
CID: 12550
Formula: C28H40N2O9
MW: 548.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass548.27338086
Monoisotopic Mass548.27338086
Topological Polar Surface Area157 Ų
Heavy Atom Count39
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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