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34524-20-4 | boromycin
CAS No: 34524-20-4 Catalog No: AG00CQUQ MDL No:
Product Description
Catalog Number:
AG00CQUQ
Chemical Name:
boromycin
CAS Number:
34524-20-4
Molecular Formula:
C45H74BNO15
Molecular Weight:
879.8778
IUPAC Name:
[(2R)-1-[(1R)-1-[(1R,5S,7E,11S,13S,16R,17R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethoxy]-3-methyl-1-oxobutan-2-yl]azanium
InChI:
InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/p+1/b12-11+/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37?,38?,44+,45+,46?/m1/s1
InChI Key:
OOBFYEMEQCZLJL-XURNZCJASA-O
SMILES:
C[C@H]([C@@H]1C/C=C/CC[C@H](O)C(C)(C)[C@H]2O[C@]3(O[B-]45OC(C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)C(C)(C)[C@H](O)CCC[C@@H]1C[C@H](OC(=O)C3O5)[C@@H](C)O1)O4)[C@H](C)CC2)OC(=O)[C@@H](C(C)C)[NH3+]
Properties
Complexity:
1680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
14
Defined Bond Stereocenter Count:
1
Exact Mass:
879.515g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
879.889g/mol
Monoisotopic Mass:
879.515g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Study on the use of boromycin as a chiral selector in capillary electrophoresis. | Journal of chromatography. A 20120511 |
| Empirical observations and mechanistic insights on the first boron-containing chiral selector for LC and supercritical fluid chromatography. | Analytical chemistry 20071101 |
| The effect of boromycin on the Ca2+ homeostasis. | Molecular and cellular biochemistry 20020201 |
| Boromycin, an anti-HIV antibiotic. | Bioscience, biotechnology, and biochemistry 19960601 |
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