Compound C32H72N4O11P2S2

bis(3-[2-(1-adamantylmethylamino)ethylamino]propylsulfanylphosphonic acid);pentahydrate

CAS: 88313-52-4

Molecular Formula	`C32H72N4O11P2S2`
Molecular Weight	815.0 g/mol
Topological Polar Surface Area	219.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	17
Rotatable Bonds	20
Exact Mass	814.41144
Heavy Atoms	51
Complexity	402.0

Chemical Identifiers

CAS Number	88313-52-4
SMILES	`C1C2CC3CC1CC(C2)(C3)CNCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)CNCCNCCCSP(=O)(O)O.O.O.O.O.O`
InChIKey	`AOQWEHHKNKVUJT-UHFFFAOYSA-N`

📖 Product Overview

Compound C32H72N4O11P2S2 (CAS: 88313-52-4) is a chemical compound with molecular formula C32H72N4O11P2S2 and molecular weight 815.0 g/mol. Its IUPAC systematic name is bis(3-[2-(1-adamantylmethylamino)ethylamino]propylsulfanylphosphonic acid);pentahydrate. Topological Polar Surface Area 219.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 17 Rotatable Bonds 20 Exact Mass 814.41144 Heavy Atoms 51 Complexity 402.0 InChI Key: AOQWEHHKNKVUJT-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)CNCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)CNCCNCCCSP(=O)(O)O.O.O.O.O.O.

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