chempirical

2-Desethyl-2-propylazithromycin

C39H74N2O12CAS 763924-54-5763.02 g/mol

Open in Covalent MOL file
NOOOOHOOOONOHOHHOHO
AcetalAlcoholEsterEtherLactoneTertiary amine

Properties

Molecular formula
C39H74N2O12
Molar mass
763.02 g/mol
Exact mass
762.5242 Da
logP
2.29Crippen estimate
Polar surface area
180.1 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
8
Stereocentres
R, S, R, R, R, R, R, S, S, R, R, R, S, S, S, R, S, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
763924-54-5
SMILES
CCC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChIKey
PMJMEZRLHVDXSC-SBXXAWCKSA-N
InChI
InChI=1S/C39H74N2O12/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29/h21-34,36,42-44,46-47H,15-20H2,1-14H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1

Weigh it out

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

Work with 2-Desethyl-2-propylazithromycin

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

Azithromycin83905-01-591 % similar Azithromycin dihydrate117772-70-088 % similar Azithromycin B307974-61-479 % similar Azithromycin F612069-26-879 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-974 % similar Erythromycin114-07-871 % similar Gamithromycin145435-72-971 % similar Erythromycin A oxime13127-18-969 % similar

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

Elsewhere

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