[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid
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![[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8d4b104f4c3645f1a1444eaf3a243d8f.png "[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid")
[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid
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CAS No:
56643-49-3
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Formula:
C6H17N2O4PS
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Chemical Name:
[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid
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Synonyms:
BRN 2448395;s-{3-[(3-aminopropyl)amino]-2-hydroxypropyl} dihydrogen phosphorothioate;DTXSID30972089;Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester;S-3-(omega-Aminopropylamino)-2-hydroxypropyl dihydrogen phosphorothioate;Thiophosphoric acid dihydrogen S-[3-[(3-aminopropyl)amino]-2-hydroxypropyl] ester
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CAS No:
Characteristics
141
-5.1
Oral-mouse LD50: 1200 mg/kg; intraperitoneal-mouse LD50: 875 mg/kg
Flammable; burning produces toxic nitrogen oxides, phosphorus oxides and sulfur oxide fumes
Computed Properties
Molecular Weight:244.25
XLogP3:-5.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:244.06466520
Monoisotopic Mass:244.06466520
Topological Polar Surface Area:141
Heavy Atom Count:14
Complexity:189
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid
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