chempirical

Erythromycin estolate

C52H97NO18SCAS 3521-62-81056.40 g/mol

Open in Covalent MOL file
OOOOOOHOOOOHOHOHOONOSOOOH
AcetalAlcoholEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C52H97NO18S
Molar mass
1056.40 g/mol
Exact mass
1055.6426 Da
Melting point
137 °C (decomposes)
logP
6.47Crippen estimate
Polar surface area
263.6 Ų
H-bond donors / acceptors
5 / 18
Rotatable bonds
21
Stereocentres
R, S, R, S, S, R, R, S, S, R, R, S, R, R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
3521-62-8
SMILES
CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
InChIKey
AWMFUEJKWXESNL-JZBHMOKNSA-N
InChI
InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1

Weigh it out

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

Names and synonyms

31 names · show all
  • Erythromycin, 2′-propanoate, dodecyl sulfate (1:1)
  • Erythromycin, 2′-propionate, dodecyl sulfate (salt)
  • Erythromycin, 2′-propanoate, dodecyl sulfate (salt)
  • Erythromycin, propionate, compd. with dodecyl sulfate
  • Propionic acid, 2′-ester with erythromycin, dodecyl sulfate salt
  • Sulfuric acid, monododecyl ester, compd. with erythromycin 2′-propionate (1:1)
  • Oxacyclotetradecane, erythromycin deriv.
  • Sulfuric acid, monododecyl ester, compd. with erythromycin 2′-propanoate (1:1)
  • Erythromycin propionate lauryl sulfate
  • Ilosone
  • Lauryl sulfate propionyl erythromycin ester
  • Propionylerythromycin lauryl sulfate
  • Eriscel
  • Estomicina
  • Erytrarco
  • Eromycin
  • Marcoeritrex
  • Lauromicina
  • neo-Erycinum
  • PELS
  • Roxomicina
  • Stellamicina
  • Erythromycin, monopropanoate (ester), dodecyl sulfate (salt)
  • Erythromycin, monopropionate (ester), compd. with monododecyl sulfate (1:1)
  • Lubomycine B
  • Propiocine enfant
  • Eritroger
  • Eupragin
  • Togiren
  • NSC 263364
  • Eltocin DS

Work with Erythromycin estolate

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

Erythromycin ethyl succinate1264-62-675 % similar Erythromycin114-07-872 % similar Erythromycin stearate643-22-171 % similar Erythromycin thiocyanate7704-67-867 % similar Clarithromycin81103-11-967 % similar Erythromycin A oxime13127-18-963 % similar Erythromycin lactobionate3847-29-861 % similar Azithromycin83905-01-560 % similar

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

Elsewhere

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