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Chemical structure of 3-formyl Rifamycin

GC42272

3-formyl Rifamycin

Also known as [(7S,11S,12R,13S,14R,15R,16R,17S,18S)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

3-formyl Rifamycin is an intermediate of rifampicin that has been used to develop several rifamycin derivatives with antibiotic activity that targets RNA synthesis

ChemicalCAS13292-22-3MW725.8FormulaC38H47NO13
CAS number
13292-22-3
Molecular weight
725.8
Formula
C38H47NO13
Solubility
DMSO ： 62·5 mg/mL (86·11 mM; Need ultrasonic)
InChIKey
BBNQHOMJRFAQBN-MLMMFLLNSA-N
Catalogue number
GC42272
Brand
GLPBIO
Computed properties PubChem CID 122869 · XLogP 4.9 · TPSA 218 Ų · H-bond donors 6
XLogP
4.9
TPSA
218 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
4
Heavy atoms
52

SMILES C[C@H]1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)C

Computed descriptors from PubChem (CID 122869), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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