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A 121

CAT: 0931-T26403-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26403-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68072-84-4
Target
Others
Related Pathways
Others
Bioactivity
A 121 is a non-polyene antifungal antibiotic. It is active against a number of filamentous fungi including some plant and human pathogens.
Smiles
CC(O)C(OC)C(O)C(CC1(C)C(C(C=C)(C)C)(C)OC=C1)=O
Molecular Formula
C18H30O5
Molecular Weight
326.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 121

structure given in first source

CAS Number68072-84-4
PubChem CID456854
IUPAC Name1-[2,3-dimethyl-2-(2-methylbut-3-en-2-yl)furan-3-yl]-3,5-dihydroxy-4-methoxyhexan-2-one
Molecular FormulaC18H30O5
Molecular Weight326.4
XLogP2.1
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity484
SMILES
CC(C(C(C(=O)CC1(C=COC1(C)C(C)(C)C=C)C)O)OC)O
InChI
InChI=1S/C18H30O5/c1-8-16(3,4)18(6)17(5,9-10-23-18)11-13(20)14(21)15(22-7)12(2)19/h8-10,12,14-15,19,21H,1,11H2,2-7H3
InChIKey
BSIAHHIPMGVHJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 121
CAS: 68072-84-4
CID: 456854
Formula: C18H30O5
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass326.20932405
Monoisotopic Mass326.20932405
Topological Polar Surface Area76 Ų
Heavy Atom Count23
Formal Charge0
Complexity484
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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