2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid
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![2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2165844148ee494a8a6696232850a32c.png "2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid")
2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid
structure -
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CAS No:
136379-59-4
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Formula:
C34H59NO14
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Chemical Name:
2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid
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Synonyms:
2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid;1,2,3-Propanetricarboxylic acid, 1,1[1-(12-amino-9,11-dihydroxy-2-methyl-tridecyl)-2-(1-methylpentyl)-1,2-ethane-diyl]ester;1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-((2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester;Ccris 4435;Fumonisin B3 solution;Fumonisin B3 50ug/ml in ACN:H2O 1:1;Fumonisine B3 in Acetonitrile;Fumonisine B3 in Acetonitrile:Water=1:1
- Categories:
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CAS No:
2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid Basic Attributes
0
705.83
8181181
30029090
Characteristics
268.28000
4.29370
1.222g/cm3
867ºC at 760mmHg
6℃
1.52
water: soluble
-20°C
4.49E-35mmHg at 25°C
258 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|259.2 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine]|264.5 Ų [M+K]+ [CCS Type: TW, Method: calibrated with polyalanine]|259.99 Ų [M-H]-
-20°C
Safety Information
UN 1648 3 / PGII
2
F,Xn
16-26-36/37
F,Xn
11-20/21/22-36
UN 1648 3 / PGII
|Danger|H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P260, P261, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Drug Information
Carcinogenic substances that are found in the environment. (See all compounds classified as Carcinogens, Environmental.)
fumonisin B3
2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid Use and Manufacturing
Fumonisin B3 may be used as a reference standard for the determination of the analyte in food supplements using liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS).', 'Fumonisin B3 solution was used as analytical standard in determination of fumonisins in stored whe at samples by HPLC analysis. It may be used as analytical standard in determination of fumonisins B1, B2, and B3 and hydrolyzed fumonisin B1 in corn containing foods.', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Computed Properties
Molecular Weight:705.8
XLogP3:0.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:31
Exact Mass:705.39355556
Monoisotopic Mass:705.39355556
Topological Polar Surface Area:268
Heavy Atom Count:49
Complexity:1040
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Latest News on 2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid
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2-[[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11 ,18-dihydroxy-5,9-dimethyl-icosan-7-yl]oxycarbonylmethyl]butanedioic a cid
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