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Boromycin

Boromycin structure

CAS No:
34524-20-4
Formula:
C45H73BNO15.H
Chemical Name:
Boromycin
Synonyms:
Borate(1-),[(1R)-1-[(1S,2R,5S,6R,8R,12R,14S,17R,18S,19R,22S,24Z,28S,30S,33R)-1,2,18,19-tetra(hydroxy-κO)-12,28-dihydroxy-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15,8.114,18]hexatriacont-24-en-22-yl]ethyl D-valinato(4-)]-,hydrogen (1:1),(T-4)-;Borate(1-),[1-[1,2,18,19-tetra(hydroxy-κO)-12,28-dihydroxy-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15,8.114,18]hexatriacont-24-en-22-yl]ethyl D-valinato-(4-)]-,hydrogen,[T-4-[1R-[1R*,2R*,5S*,6R*,8R*,12R*,14S*,17R*,18R*,19R*,22S*(R*),24Z,28S*,30S*,33R*]]]-;Borate(1-),[(1R)-1-[(1S,2R,5S,6R,8R,12R,14S,17R,18S,19R,22S,24Z,28S,30S,33R)-1,2,18,19-tetra(hydroxy-κO)-12,28-dihydroxy-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15,8.114,18]hexatriacont-24-en-22-yl]ethyl D-valinato(4-)]-,hydrogen,(T-4)-;4,7,21,34,35-Pentaoxatetracyclo[28.3.1.15,8.114,18]hexatriacontane,boromycin deriv.;Boromycin;Hydrogen [T-4-[1R-[1R*,2R*,5S*,6R*,8R*,12R*,14S*,17R*,18R*,19R*,22S(R*),24Z,28S*,30S*,33R*]]]-[1-(1,2,12,18,19,28-hexahydroxy-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15,8.114,18]hexatriacont-24-en-22-yl)ethyl D-valinato-(4-)-O1,O2,O18,O19]borate(1-);TMC 25A;NSC 121380;11048-66-1;35283-42-2;36536-66-0
Categories:
Organic Chemistry > Boron Compounds

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Description

ChEBI: A boron-containing macrolide antibiotic that is isolated from Streptomyces antibioticus.

Boromycin Basic Attributes

Molecular Weight：

879.883

Exact Mass：

879.515151

Characteristics

PSA：

212

Melting Point：

223-228° (dec)

Toxicity：

LD50 orally in mice: 180 mg/kg (Hütter)

Specific rotation：

D +63.5° (c = 0.55 in CHCl3)

Drug Information

MeSH Entry Terms：

boromycin

Computed Properties

Molecular Weight:879.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:5
Exact Mass:879.5151508
Monoisotopic Mass:879.5151508
Topological Polar Surface Area:212
Heavy Atom Count:62
Complexity:1680
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes