chempirical

Spiramycin ii

C45H76N2O15CAS 24916-51-6885.10 g/mol

Open in Covalent MOL file
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AcetalAlcoholAldehydeAlkeneEsterEtherLactoneTertiary amine

Properties

Molecular formula
C45H76N2O15
Molar mass
885.10 g/mol
Exact mass
884.5246 Da
Melting point
130–133 °C
logP
2.90Crippen estimate
Polar surface area
201.4 Ų
H-bond donors / acceptors
3 / 17
Rotatable bonds
12
Stereocentres
S, S, S, R, S, S, R, S, S, R, R, R, R, R, R, S, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
24916-51-6
SMILES
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
InChIKey
ZPCCSZFPOXBNDL-ZSTSFXQOSA-N
InChI
InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Leucomycin V, 9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-acetate
  • Spiramycin B
  • Leucomycin V, 9-O-[5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-, 3-acetate, [9(2R,5S,6R)]-
  • Oxacyclohexadecane, leucomycin V deriv.
  • Acetylspiramycin
  • Foromacidine B
  • Foromacidin B
  • Spiramycin 2

Work with Spiramycin ii

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

Josamycin16846-24-573 % similar Leucomycin1392-21-873 % similar Midecamycin A135457-80-867 % similar Tylosin1401-69-048 % similar Tylosin phosphate1405-53-445 % similar Tylosin tartrate74610-55-245 % similar Spinosyn A131929-60-731 % similar Spinetoram J187166-40-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook