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Maduramicin (ammonium salt)

CAT: 0607-N2861-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-N2861-50Size:50 mg
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Description
A polyether ionophore antibiotic
CAS Number
84878-61-5
Product Name Alternative
2- ((2R,3S,4S,5R,6S) -6- ((R) -1- ((2S,5R,7S,8R,9S) -2- ((2S,2'R,3'S,5R,5'R) -3'- (((2R,4S,5S,6S) -4,5-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -5'- ((2S,3S,5R,6S) -6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl) -2-methyloctahydro-[2,2'-bifuran]-5-yl) -9-hydr
Synonyms
Antibiotic X-14868A, CL 259.971, Maduramycin, Prinicin
Purity
0.98
Smiles
OC (C[C@@]1 (O) O[C@] ([C@H] (C) [C@@]2 ([H]) O[C@@]3 (CC[C@] ([C@]4 ([H]) O[C@@] ([C@@]5 ([H]) [C@@H] (O[C@@]6 ([H]) O[C@@H] (C) [C@H] (OC) [C@@H] (OC) C6) C[C@@] ([C@]7 ([H]) [C@@H] (C) C[C@@H] (C) [C@] (O) (C) O7) ([H]) O5) (C) CC4) (C) O3) C[C@H] (O) [C@H]2C) ([H]) [C@H] (OC) [C@@H] (OC) [C@@H]1C) =O.
Molecular Formula
C47H79O17 • NH4
Molecular Weight
934.17
Storage Conditions
Store at -20°C

Chemical Information

Maduramicin

Maduramicin is a glycoside.

CAS Number84878-61-5
PubChem CID68595
IUPAC Nameazane;2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
Molecular FormulaC47H83NO17
Molecular Weight934.2
Topological Polar Surface Area210
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Heavy Atom Count65
Formal Charge0
Complexity1610
SMILES
C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.N
InChI
InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1
InChIKey
WQGJEAMPBSZCIF-HKSLRPGUSA-N
Chemical Structure
2D Structure
2D structure of Maduramicin
CAS: 84878-61-5
CID: 68595
Formula: C47H83NO17
MW: 934.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight934.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Exact Mass933.56610018
Monoisotopic Mass933.56610018
Topological Polar Surface Area210 Ų
Heavy Atom Count65
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes