Clindamycin 2,4-diphosphate

C18H35ClN2O11P2SCAS 1309048-48-3584.94 g/mol

Open in Covalent MOL file
NONHOSOPOOHHOOHOPOHOOHCl
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

7-Epi-clindamycin16684-06-374 % similar 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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