Disodium clodronate tetrahydrate

CH₁₀Cl₂Na₂O₁₀P₂CAS 88416-50-6360.91 g/mol

Open in Covalent MOL file

Alkyl halide Phosphonate

Properties

Molecular formula: CH₁₀Cl₂Na₂O₁₀P₂
Molar mass: 360.91 g/mol
Exact mass: 359.8922 Da
logP: -3.63Crippen estimate
Polar surface area: 241.1 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 2

Identifiers

CAS number

88416-50-6

SMILES

[O-]P([O-])(=O)C(Cl)(Cl)P(=O)(O)O.O.O.O.O.[Na+].[Na+]

InChIKey

MBJMCOJMDMARNB-UHFFFAOYSA-N

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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Phosphonic acid, P,P′-(dichloromethylene)bis-, sodium salt, hydrate (1:2:4)
Phosphonic acid, (dichloromethylene)bis-, disodium salt, tetrahydrate

Work with Disodium clodronate tetrahydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clodronate sodium22560-50-589 % similar Clodronate10596-23-350 % similar Disodium pamidronate pentahydrate109552-15-049 % similar Etidronate disodium7414-83-749 % similar Sodium dihydrogen phosphate monohydrate10049-21-542 % similar Sodium dihydrogen phosphate dihydrate13472-35-042 % similar Pamidronate disodium57248-88-141 % similar Disodium hydrogen phosphate dihydrate10028-24-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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