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Maridomycin IV

CAT: 0013-GTR19255692-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255692-02Size:50 mg
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Description
Maridomycin IV is a macrolide antibiotic with activity against both Gram-positive bacteria and mycoplasma. It offers protective effects in mice infected with Gram-positive bacteria.
CAS Number
35942-56-4
Field of Research
Infectious Disease & Virology
Smiles
O=CCC1CC (C) C (O) C=CC2OC2CC (OC (=O) CC (OC (=O) C) C (OC) C1OC3OC (C) C (OC4OC (C) C (OC (=O) CC) C (O) (C) C4) C (N (C) C) C3O) C
Molecular Formula
C40H65NO16
Molecular Weight
815.941
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Maridomycin IV

Maridomycin IV is an aminoglycoside.

CAS Number35942-56-4
PubChem CID6445461
IUPAC Name[6-[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Molecular FormulaC40H65NO16
Molecular Weight815.9
XLogP1
Topological Polar Surface Area219
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Heavy Atom Count57
Formal Charge0
Complexity1380
SMILES
CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(/C=C/C4C(O4)CC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C
InChI
InChI=1S/C40H65NO16/c1-11-30(45)55-38-23(5)51-32(19-40(38,7)48)56-35-22(4)52-39(34(47)33(35)41(8)9)57-36-25(14-15-42)16-20(2)26(44)12-13-27-28(54-27)17-21(3)50-31(46)18-29(37(36)49-10)53-24(6)43/h12-13,15,20-23,25-29,32-39,44,47-48H,11,14,16-19H2,1-10H3/b13-12+
InChIKey
DOABXUMIXMOBRE-OUKQBFOZSA-N
Chemical Structure
2D Structure
2D structure of Maridomycin IV
CAS: 35942-56-4
CID: 6445461
Formula: C40H65NO16
MW: 815.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight815.9
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Exact Mass815.43033499
Monoisotopic Mass815.43033499
Topological Polar Surface Area219 Ų
Heavy Atom Count57
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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