chempirical

Clodronate

CH4Cl2O6P2CAS 10596-23-3244.88 g/mol

Open in Covalent MOL file
OPHOHOClClPOOHOH
Alkyl halidePhosphonate

Properties

Molecular formula
CH4Cl2O6P2
Molar mass
244.88 g/mol
Exact mass
243.8860 Da
Melting point
250 °C
logP
0.43Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
2

Identifiers

CAS number
10596-23-3
SMILES
O=P(O)(O)C(Cl)(Cl)P(=O)(O)O
InChIKey
ACSIXWWBWUQEHA-UHFFFAOYSA-N
InChI
InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • Phosphonic acid, P,P′-(dichloromethylene)bis-
  • Cl 2MDP
  • DMDP
  • Phosphonic acid, (dichloromethylene)di-
  • Phosphonic acid, (dichloromethylene)bis-
  • P,P′-(Dichloromethylene)bis[phosphonic acid]
  • Methanedichlorodiphosphonic acid
  • Dichloromethylenediphosphonic acid
  • Clodronic acid
  • (Dichloromethylene)bis[phosphonic acid]
  • Clodrolip
  • Clodrosome

Work with Clodronate

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 sodium22560-50-556 % similar Disodium clodronate tetrahydrate88416-50-650 % similar (1-Hydroxyethylidene)-1,1-diphosphonic acid2809-21-439 % similar P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]40391-99-932 % similar Alendronic acid66376-36-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook