6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid
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![6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/20c4a862b2d5412fbe5e774d9f62ef6b.png "6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid")
6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid
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CAS No:
13149-69-4
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Formula:
C20H40N2O8
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Chemical Name:
6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid
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Synonyms:
6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid;6-O-[2,2-Bis(diisopropylamino)acetyl]-D-gluconic acid;(2R,3S,4R,5R)-6-(2,2-Bis(diisopropylamino)acetoxy)-2,3,4,5-tetrahydroxyhexanoic acid;D-Gluconic acid, 6-[2,2-bis[bis(1-methylethyl)amino]acetate];(2R,3S,4R,5R)-6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid;PANGAMIC ACID (VITAMIN B15)
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CAS No:
Characteristics
151.00000
-0.37850
1.196g/cm3
612.7ºC at 760 mmHg
324.3ºC
1.522
1.43E-17mmHg at 25°C
Computed Properties
Molecular Weight:436.5
XLogP3:-1.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:436.27846624
Monoisotopic Mass:436.27846624
Topological Polar Surface Area:151
Heavy Atom Count:30
Complexity:505
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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