Basic information
- Name:
Phosphonic acid,P,P'-(dichloromethylene)bis-, sodium salt, hydrate (1:2:4)
- Superlist Name:
- Disodium clodronate tetrahydrate
- CAS No.:
88416-50-6
- Molecular Structure:
- Formula:
- CH2Cl2Na2O6P2.4(H2O)
- Molecular Weight:
- 360.92
- Synonyms:
- Phosphonicacid, (dichloromethylene)bis-, disodium salt, tetrahydrate (9CI);Disodiumclodronate tetrahydrate;
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Specification
The Disodium clodronate tetrahydrate, with the CAS registry number 88416-50-6, is also known as (Dichloromethylene)bisphosphonic acid disodium salt tetrahydrate. This chemical's molecular formula is CH2Cl2Na2O6P2.4(H2O) and molecular weight is 360.92. Its IUPAC name is called disodium [dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate tetrahydrate.
Physical properties of Disodium clodronate tetrahydrate: (1)H-Bond Donor: 6; (2)H-Bond Acceptor: 10; (3)Rotatable Bond Count: 2; (4)Exact Mass: 359.892164; (5)MonoIsotopic Mass: 359.892164; (6)Topological Polar Surface Area: 125; (7)Heavy Atom Count: 17; (8)Formal Charge: 0; (9)Complexity: 206; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 7.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.O.O.O.[Na+].[Na+]
(2)InChI: InChI=1S/CH4Cl2O6P2.2Na.4H2O/c2-1(3,10(4,5)6)11(7,8)9;;;;;;/h(H2,4,5,6)(H2,7,8,9);;;4*1H2/q;2*+1;;;;/p-2
(3)InChIKey: XWHPUCFOTRBMGS-UHFFFAOYSA-L