[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate
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![[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bf3a7332758b44109d642a3e508dc19c.png "[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate")
[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate
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CAS No:
63717-28-2
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Formula:
C14H48N4O11P2S2
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Chemical Name:
[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate
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Synonyms:
63717-28-2;S-(2-((3-Aminopropyl)amino)-2-methyl)propyl dihydrogen phosphorothioate hydrate (2:2:5);Phosphorothioic acid, S-((2-(3-aminopropylamino)-2-methyl)propyl) ester, hydrate (2:2:5);Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, dihydrogen phosphate (ester) hydrate;DTXSID60980152;S-{3-[(3-Aminopropyl)amino]-2-methylpropyl} dihydrogen phosphorothioate--water (2/5)
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CAS No:
[3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid;pentahydrate Basic Attributes
574.6 g/mol
574.22362470 g/mol
Computed Properties
Molecular Weight:574.6
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:16
Exact Mass:574.22362470
Monoisotopic Mass:574.22362470
Topological Polar Surface Area:247
Heavy Atom Count:33
Complexity:188
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:7
Compound Is Canonicalized:Yes
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