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Virustomycin A

CAT: 0013-GTR19198532-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198532-02Size:1 mg
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Description
Virustomycin A is a small-molecule antibiotic for research use. It is applied in microbiological studies to investigate antibacterial mechanisms and efficacy in both in vitro assays and in vivo infection models.
CAS Number
84777-85-5
Field of Research
Infectious Disease & Virology
Smiles
[H][C@@]1 (OC (=O) \C (OC) =C\C (\C) =C/[C@@H] (C) [C@@H] (O) [C@@H] (CC) [C@@H] (O) [C@H] (C) C\C (C) =C\C=C\[C@@H]1OC) [C@@H] (C) [C@@H] (O) [C@H] (C) [C@@]1 (O) C[C@@H] (OC (=O) \C=C\C (=O) NC2=C (O) CCC2=O) [C@H] (C) [C@H] (O1) \C=C\C |c:10,51, t:7,25,27|
Molecular Formula
C48H71NO14
Molecular Weight
886.089
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Virustomycin A

AM-2604 A is a macrolide.

CAS Number84777-85-5
PubChem CID6441152
IUPAC Name[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(Z)-prop-1-enyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Molecular FormulaC48H71NO14
Molecular Weight886.1
XLogP5.9
Topological Polar Surface Area228
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count63
Formal Charge0
Complexity1830
SMILES
CC[C@H]1[C@H]([C@@H](C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C\C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C)C)O
InChI
InChI=1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12-,17-14-,21-20+,26-16-,27-23-,38-24+/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46?,48-/m1/s1
InChIKey
YIKWIQAIKGWYCF-SRBICYAVSA-N
Chemical Structure
2D Structure
2D structure of Virustomycin A
CAS: 84777-85-5
CID: 6441152
Formula: C48H71NO14
MW: 886.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight886.1
XLogP35.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass885.48745594
Monoisotopic Mass885.48745594
Topological Polar Surface Area228 Ų
Heavy Atom Count63
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-126571Virustomycin A

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