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Hydrolyzed Fumonisin B2

CAT: 0931-T19359-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19359-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147985-10-2
Target
Others
Related Pathways
Others
Bioactivity
Hydrolyzed Fumonisin B2 (HFB2) is a hydrolysis product of fumonisins (HF) that retains biological activity and exhibits phytotoxicity.
Smiles
[C@H](C[C@H](CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)C)([C@@H]([C@@H](CCCC)C)O)O
Molecular Formula
C22H47NO4
Molecular Weight
389.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,3S,5R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,14,15-tetrol
CAS Number147985-10-2
PubChem CID138911426
IUPAC Name(2S,3S,5R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,14,15-tetrol
Molecular FormulaC22H47NO4
Molecular Weight389.6
XLogP4.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count27
Formal Charge0
Complexity342
SMILES
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)O
InChI
InChI=1S/C22H47NO4/c1-5-6-12-17(3)22(27)21(26)14-16(2)11-9-7-8-10-13-19(24)15-20(25)18(4)23/h16-22,24-27H,5-15,23H2,1-4H3/t16-,17+,18-,19+,20-,21-,22+/m0/s1
InChIKey
BLYFGSXVLITXCG-FAGWYDQESA-N
Chemical Structure
2D Structure
2D structure of (2S,3S,5R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,14,15-tetrol
CAS: 147985-10-2
CID: 138911426
Formula: C22H47NO4
MW: 389.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.6
XLogP34.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass389.35050898
Monoisotopic Mass389.35050898
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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