chempirical

Clindamycin 2,4-diphosphate

C18H35ClN2O11P2SCAS 1309048-48-3584.94 g/mol

Open in Covalent MOL file
NONHOSOPOOHOHOHOPOOHHOCl
AlcoholAlkyl halideAmideEtherPhosphateSulfideTertiary amine

Properties

Molecular formula
C18H35ClN2O11P2S
Molar mass
584.94 g/mol
Exact mass
584.1125 Da
logP
0.62Crippen estimate
Polar surface area
195.3 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
11
Stereocentres
R, S, S, R, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
1309048-48-3
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)OP(=O)(O)O)[C@H](C)Cl
InChIKey
SPZJAFHRZHRDNU-AWPVFWJPSA-N
InChI
InChI=1S/C18H35ClN2O11P2S/c1-5-6-10-7-11(21(3)8-10)17(23)20-12(9(2)19)14-15(31-33(24,25)26)13(22)16(18(30-14)35-4)32-34(27,28)29/h9-16,18,22H,5-8H2,1-4H3,(H,20,23)(H2,24,25,26)(H2,27,28,29)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1

Weigh it out

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

Work with Clindamycin 2,4-diphosphate

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

Clindamycin phosphate24729-96-268 % similar Clindamycin18323-44-951 % similar Clindamycin hydrochloride21462-39-549 % similar Clindamycin palmitate hydrochloride25507-04-447 % similar Lincomycin154-21-243 % similar Lincomycin hydrochloride859-18-742 % similar Lincomycin hydrochloride monohydrate7179-49-940 % similar

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

Elsewhere

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