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Fumifungin

CAT: 0931-T126406-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126406-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110231-33-9
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Fumifungin is a useful organic compound for research related to life sciences. The catalog number is T126406 and the CAS number is 110231-33-9.
Smiles
CCCCCCC(O)CCCCCC\C=C\[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(O)=O
Molecular Formula
C22H41NO7
Molecular Weight
431.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fumifungin

Fumifungin is a long-chain fatty acid.

CAS Number110231-33-9
PubChem CID139588989
IUPAC Name(E,2S,3S,4R,5R,14R)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
Molecular FormulaC22H41NO7
Molecular Weight431.6
XLogP0.7
Topological Polar Surface Area150
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count30
Formal Charge0
Complexity498
SMILES
CCCCCC[C@H](CCCCCC/C=C/[C@H]([C@H]([C@H]([C@@H](C(=O)O)N)O)OC(=O)C)O)O
InChI
InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19+,20+,21-/m1/s1
InChIKey
OOEOVXMORBPOKC-HQBCPPEBSA-N
Chemical Structure
2D Structure
2D structure of Fumifungin
CAS: 110231-33-9
CID: 139588989
Formula: C22H41NO7
MW: 431.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass431.28830265
Monoisotopic Mass431.28830265
Topological Polar Surface Area150 Ų
Heavy Atom Count30
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14225Fumifungin

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