chempirical

Gamithromycin

C40H76N2O12CAS 145435-72-9777.05 g/mol

Open in Covalent MOL file
NHOHOOOOOOHOOONOHOH
AcetalAlcoholEsterEtherLactoneTertiary amine

Properties

Molecular formula
C40H76N2O12
Molar mass
777.05 g/mol
Exact mass
776.5398 Da
logP
2.68Crippen estimate
Polar surface area
180.1 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
9
Stereocentres
S, R, S, R, R, S, R, R, S, S, S, R, S, R, S, R, R, Rin SMILES atom order

Identifiers

CAS number
145435-72-9
SMILES
CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=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]1C
InChIKey
VWAMTBXLZPEDQO-UZSBJOJWSA-N
InChI
InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-
  • 1-Oxa-7-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [2R-(2R*,3S*,4R*,5S*,8R*,10R*,11R*,12S*,13S*,14R*)]-
  • (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-7-propyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
  • ML 1709460
  • Zactran

Work with Gamithromycin

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

Erythromycin114-07-875 % similar Azithromycin83905-01-575 % similar 9-Deoxo-9A-aza-9A-homoerythromycin A76801-85-973 % similar Azithromycin dihydrate117772-70-072 % similar Erythromycin A oxime13127-18-972 % similar Clarithromycin81103-11-971 % similar Dirithromycin62013-04-170 % similar Erythromycin stearate643-22-170 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook