chempirical

Erythromycin A 11,12-carbonate

C38H65NO14CAS 55224-05-0759.93 g/mol

Open in Covalent MOL file
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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

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

Weigh it out

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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