Erythromycin estolate

C52H97NO18SCAS 3521-62-81056.40 g/mol

Open in Covalent MOL file
OOOOOHOOOOOHOHOOHONOSOOOH
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

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 118 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium dodecyl sulfate151-21-3Salt Ammonium lauryl sulfate2235-54-3Salt Triethanolamine lauryl sulfate139-96-8Salt Lithium dodecyl sulfate2044-56-6Salt

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

PubChem CAS Common Chemistry NIST WebBook