disodiumbis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate)heptahydrate

disodium;bis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate);heptahydrate

CAS: 67293-76-9

Molecular Formula	`C30H66N4Na2O13P2S2`
Molecular Weight	862.9 g/mol
Topological Polar Surface Area	255.0 A2
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	17
Rotatable Bonds	10
Exact Mass	862.33386
Heavy Atoms	53
Complexity	527.0

Chemical Identifiers

CAS Number	67293-76-9
SMILES	`CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.O.O.O.O.O.O.O.[Na+].[Na+]`
InChIKey	`VCIUAFOHMQQZIY-UHFFFAOYSA-L`

📖 Product Overview

disodiumbis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate)heptahydrate (CAS: 67293-76-9) is a chemical compound with molecular formula C30H66N4Na2O13P2S2 and molecular weight 862.9 g/mol. Its IUPAC systematic name is disodium;bis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate);heptahydrate. Topological Polar Surface Area 255.0 A2 Hydrogen Bond Donors 11 Hydrogen Bond Acceptors 17 Rotatable Bonds 10 Exact Mass 862.33386 Heavy Atoms 53 Complexity 527.0 InChI Key: VCIUAFOHMQQZIY-UHFFFAOYSA-L. SMILES: CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.O.O.O.O.O.O.O.[Na+].[Na+].

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