Tolypomycin R
Basic information
- CAS
33889-22-4- Standard SMILES
COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(cc(NC5CCC(O)OC5C)c4c3C2=O)NC(=O)/C(C)=C\C(=O)C2CC2C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
RUJHPEIRGYGPOM-JUOJRUMHSA-N- Molecular formula
- C43H56N2O14
- Average molar mass
- 824.9 g/mol
- Monoisotopic mass
- 824.37315446
Names & identifiers
- Preferred name
- Tolypomycin R
- IUPAC
- [(9Z,22Z)-2,15,17,30-tetrahydroxy-28-[(6-hydroxy-2-methyloxan-3-yl)amino]-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24-trioxo-8,31-dioxa-25-azapentacyclo[24.3.1.14,7.05,29.018,20]hentriaconta-1(30),2,4,9,22,26,28-heptaen-13-yl] acetate
- English name
- 1,4-Didehydro-1-deoxo-4,35-dihydro-1-hydroxytolypomycin Y
- Molecular formula
- C43H56N2O14
- Molecular weight
- 824.92
Names & synonyms
Tolypomycin R33889-22-4RefChem:1100183[(9Z,22Z)-2,15,17,30-tetrahydroxy-28-[(6-hydroxy-2-methyloxan-3-yl)amino]-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24-trioxo-8,31-dioxa-25-azapentacyclo[24.3.1.14,7.05,29.018,20]hentriaconta-1(30),2,4,9,22,26,28-heptaen-13-yl] acetateB-2847-RTolypomycin Y, 1,4-didehydro-1-deoxo-4,35-dihydro-1-hydroxy-1,4-Didehydro-1-deoxo-4,35-dihydro-1-hydroxytolypomycin YL-erythro-Hexopyranose, 2,3,4,6-tetradeoxy-4-((5,6,11,12,13,14,15,16,16a,17,17a,18,21,22-tetradecahydro-2,12,14,16,26-pentahydroxy-10-methoxy-3,6,11,13,15,20-hexamethyl-5,18,21-trioxo-10H-4,6-epoxy-1,23-methenobenzo(d)cycloprop(n)(1,9)oxaazacyclotetracosin-25-yl)amino)-, 12-acetateSCHEMBL2988564710H-4,6-Epoxy-1,23-methenobenzo[d]cycloprop[n][1,9]oxaazacyclotetracosine-5,18,21(6H,11H,22H)-trione, 12-(acetyloxy)-12,13,14,15,16,16a,17,17a-octahydro-2,14,16,26-tetrahydroxy-10-methoxy-3,6,11,13,15,20-hexamethyl-25-[[(2S,3R,6S)-tetrahydro-6-hydroxy-2-methyl-2H-pyran-3-yl]amino]-, (6S,8E,10S,11R,1...
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,640
Physicochemical properties
- Boiling point
- 969.8 · 969.8±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 5.35 · 5.35±0.70(Predicted)
Chemistry & industry
Applications
DescriptionTolypomycin R is a rifamycin derivative.
UsesTolypomycin R is an inhibitor of poxvirus that can block the rifampin-induced virus maturation[1].
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