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Fumonisin B1

CAT: 0543-F030-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0543-F030-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116355-83-0
Applications
Microbiology, Plant Biology.
Purity
>95% by HPLC
Molecular Formula
C34H59NO15
Molecular Weight
721.8
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Fumonisin B1

Fumonisin B1 can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC) and The National Toxicology Program.

CAS Number116355-83-0
PubChem CID2733487
IUPAC Name(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Molecular FormulaC34H59NO15
Molecular Weight721.8
XLogP-0.5
Topological Polar Surface Area289
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Heavy Atom Count50
Formal Charge0
Complexity1070
SMILES
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
InChIKey
UVBUBMSSQKOIBE-DSLOAKGESA-N
Chemical Structure
2D Structure
2D structure of Fumonisin B1
CAS: 116355-83-0
CID: 2733487
Formula: C34H59NO15
MW: 721.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.8
XLogP3-0.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Exact Mass721.38847018
Monoisotopic Mass721.38847018
Topological Polar Surface Area289 Ų
Heavy Atom Count50
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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