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Paulomycin A

CAT: 0013-GTR19255874-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255874-01Size:50 mg
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Description
Paulomycin A (Volonomycin A) exhibits antibacterial activity against Gram-positive bacteria, effectively inhibiting penicillin-resistant, streptomycin-resistant, neomycin-resistant, and macrolide-resistant Staphylococcus aureus.
CAS Number
81988-77-4
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C=1C (=O) C (O) (CC (=O) C1N) C2OC (COC (=O) C) C (OC (=O) C (N=C=S) =CC) C (OC3OC (C) C (O) (C (OC (=O) C (C) CC) C) C (OC) C3) C2O
Molecular Formula
C34H46N2O17S
Molecular Weight
786.797
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Volonomycin A

Unii-BX07F07V62 has been reported in Streptomyces paulus and Streptomyces albus with data available.

CAS Number81988-77-4
PubChem CID135564869
IUPAC Name(3S)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Molecular FormulaC34H46N2O17S
Molecular Weight786.8
XLogP1.3
Topological Polar Surface Area319
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count17
Heavy Atom Count54
Formal Charge0
Complexity1610
SMILES
CC[C@H](C)C(=O)O[C@@H](C)[C@]1([C@@H](O[C@H](C[C@@H]1OC)O[C@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C(=C/C)/N=C=S)COC(=O)C)[C@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O
InChI
InChI=1S/C34H46N2O17S/c1-8-14(3)31(43)50-16(5)34(46)15(4)49-22(10-21(34)47-7)52-27-25(39)29(33(45)11-19(38)24(35)23(28(33)40)30(41)42)51-20(12-48-17(6)37)26(27)53-32(44)18(9-2)36-13-54/h9,14-16,20-22,25-27,29,35,39-40,45-46H,8,10-12H2,1-7H3,(H,41,42)/b18-9-,35-24?/t14-,15-,16-,20+,21-,22-,25+,26+,27-,29+,33+,34-/m0/s1
InChIKey
VVGJRYRHYMYFCV-DCKDIENKSA-N
Chemical Structure
2D Structure
2D structure of Volonomycin A
CAS: 81988-77-4
CID: 135564869
Formula: C34H46N2O17S
MW: 786.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight786.8
XLogP31.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count17
Exact Mass786.25171918
Monoisotopic Mass786.25171918
Topological Polar Surface Area319 Ų
Heavy Atom Count54
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN10428-01Paulomycin A
HY-N14657Paulomycin A2
TN10156-01Paulomycin B

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