3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate
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![3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4455ad65987044fc93b21b1828344ba2.png "3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate")
3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate
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CAS No:
88313-58-0
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Formula:
C30H64N4O9P2S2
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Chemical Name:
3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate
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Synonyms:
1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3);88313-58-0;S-(N-(N-(Adamantyl-1)-2-aminoethyl)-3-aminopropyl)thiophosphoric acid sesquihydrate;DTXSID30236956
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CAS No:
3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid;trihydrate Basic Attributes
750.9 g/mol
750.35899597 g/mol
DTXSID30236956
Computed Properties
Molecular Weight:750.9
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:18
Exact Mass:750.35899597
Monoisotopic Mass:750.35899597
Topological Polar Surface Area:217
Heavy Atom Count:47
Complexity:388
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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