116355-84-1
Product Name:
Fumonisin B2
Formula:
C34H59NO14
Synonyms:
FB₂;FB2;FB2;Fumonisin B2;Fumonisin B2, Ready Made Solution
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 258 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine] |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Health Hazard GHS08 |
GHS Hazard Statements |
H351:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 705.8 g/mol |
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XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 7 |
Hydrogen Bond Acceptor Count | 15 |
Rotatable Bond Count | 31 |
Exact Mass | 705.39355556 g/mol |
Monoisotopic Mass | 705.39355556 g/mol |
Topological Polar Surface Area | 268 Ų |
Heavy Atom Count | 49 |
Formal Charge | 0 |
Complexity | 1040 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 9 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Fumonisin B2 is a fumonisin that is (2S,3S,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,14,15-triol in which the hydroxy groups at positions 14 and 15 have each been esterified by condensation with the 1-carboxy group of 3-carboxyglutaric acid (giving a 3-carboxyglutarate ester group with R configuration in each case). It has a role as an Aspergillus metabolite and a carcinogenic agent. It is a fumonisin, a primary amino compound, a diol and a diester.