Erythromycin A 11,12-carbonate

C38H65NO14CAS 55224-05-0759.93 g/mol

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AcetalAlcoholCarbonateEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C38H65NO14
Molar mass
759.93 g/mol
Exact mass
759.4405 Da
logP
2.97Crippen estimate
Polar surface area
189.0 Ų
H-bond donors / acceptors
3 / 15
Rotatable bonds
7
Stereocentres
R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, R, R, Rin 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
55224-05-0
SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@@]21C
InChIKey
NKLGIWNNVDPGCA-ZDYKNUMJSA-N
InChI
InChI=1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,36-,37-,38-/m1/s1

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

Names and synonyms

5 names
  • Erythromycin, cyclic 11,12-carbonate
  • 4H-1,3-Dioxolo[4,5-c]oxacyclotetradecin, erythromycin deriv.
  • Davercin
  • Erythromycin A cyclic 11,12-carbonate
  • Erythromycin cyclic carbonate

Work with Erythromycin A 11,12-carbonate

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

Erythromycin114-07-881 % similar Clarithromycin81103-11-975 % similar Erythromycin thiocyanate7704-67-874 % similar Erythromycin stearate643-22-171 % similar Erythromycin A oxime13127-18-971 % similar Azithromycin83905-01-569 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-967 % similar Azithromycin dihydrate117772-70-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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