1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3)

bis(3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid);trihydrate

CAS: 88313-58-0

Molecular Formula	`C30H64N4O9P2S2`
Molecular Weight	750.9 g/mol
Topological Polar Surface Area	217.0 A2
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	15
Rotatable Bonds	18
Exact Mass	750.359
Heavy Atoms	47
Complexity	388.0

Chemical Identifiers

CAS Number	88313-58-0
SMILES	`C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.O.O.O`
InChIKey	`RRUKAQNLKQSKNV-UHFFFAOYSA-N`

📖 Product Overview

1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3) (CAS: 88313-58-0) is a chemical compound with molecular formula C30H64N4O9P2S2 and molecular weight 750.9 g/mol. Its IUPAC systematic name is bis(3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid);trihydrate. Topological Polar Surface Area 217.0 A2 Hydrogen Bond Donors 11 Hydrogen Bond Acceptors 15 Rotatable Bonds 18 Exact Mass 750.359 Heavy Atoms 47 Complexity 388.0 InChI Key: RRUKAQNLKQSKNV-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.O.O.O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3).

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