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2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid;pentahydrate

2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid;pentahydrate structure

CAS No:
63980-93-8
Formula:
C10H40N4O11P2S2
Chemical Name:
2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid;pentahydrate
Synonyms:
Phosphorothioic acid, S-(2-((2-methylaminoethyl)amino)ethyl) ester, hydrate (2:2:5);63980-93-8;S-2-((2-Methylaminoethyl)amino)ethyl dihydrogen phosphorothioate hydrate (2:2:5);Ethanethiol, 2-((2-methylaminoethyl)amino)-, dihydrogen phosphate (ester) hydrate (2:2:5);DTXSID20213872;2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid pentahydrate;A835061;[2-[2-(methylamino)ethylamino]ethylthio]phosphonic acid pentahydrate

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2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid;pentahydrate Basic Attributes

Molecular Weight：

518.5 g/mol

Exact Mass：

518.16102445 g/mol

DSSTox ID：

DTXSID20213872

Characteristics

PSA：

219 Å²

Computed Properties

Molecular Weight:518.5
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:14
Exact Mass:518.16102445
Monoisotopic Mass:518.16102445
Topological Polar Surface Area:219
Heavy Atom Count:29
Complexity:152
Covalently-Bonded Unit Count:7
Compound Is Canonicalized:Yes

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Guide of 2-[2-(methylamino)ethylamino]ethylsulfanylphosphonic acid;pentahydrate

Basic Attributes
Characteristics
Computed Properties

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