CAS 61230-25-9

Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-

Description:

The chemical substance known as Borate(1-) with the CAS number 61230-25-9 is a complex boron-containing anion characterized by its intricate molecular structure, which includes multiple hydroxy groups and a series of interconnected cyclic frameworks. This compound features a tetrahydroxy configuration, indicating the presence of four hydroxyl (-OH) groups that contribute to its reactivity and solubility in polar solvents. The presence of multiple methyl groups suggests a hydrophobic character, while the borate anion imparts unique properties such as the ability to form coordination complexes with various metal ions. The sodium salt form indicates that it is likely soluble in water, making it useful in various applications, including as a reagent in organic synthesis or as a stabilizing agent in formulations. The stereochemistry of the molecule, denoted by the specific R and S configurations, suggests that it may exhibit chiral properties, potentially influencing its biological activity or interaction with other molecules. Overall, this compound exemplifies the diverse chemistry associated with boron and its derivatives.

Formula: C₄₀H₆₀BNaO₁₄

InChI: InChI=1/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1

InChI key: InChIKey=GEIYDRPAWIMINR-UHFFFAOYSA-N

SMILES: CC1C23[O-][B+3]45[O-]C6(C([O-]4)C(=O)OC7CC(OC7C)C=CCC(O)C(C)(C)C(O2)CC1)OC(C(C)(C)C(O)CC=CC8CC(OC(=O)C3[O-]5)C(C)O8)CCC6C.[Na+]

Synonyms:

• 4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane, aplasmomycin deriv.
• Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-
• aplasmomycin
• Aplasmomycin
• Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium, (T-4)-
• ICI 122378

Aplasmomycin

CAS: 61230-25-9

Aplasmomycin is a boron-containing macrolide antibiotic (antibiotic) that exhibits antibacterial activity against Gram-positive bacteria and demonstrates inhibitory effects on malaria parasite infections in vivo.

Formula: C₄₀H₆₁BINaO₁₃

Color and Shape: Solid

Molecular weight: 910.61

Ref: TM-TN9005