Products for Research Use Only
RegisterLogin

Kirrothricin

CAT: 0931-TN10378-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN10378-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
79190-00-4
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Kirrothricin exhibits antibacterial properties, but it is inactive against Bacillus subtilis, Escherichia coli, and fungi.
Smiles
[C@H](C(NC/C=C/C=C(/[C@H]([C@H](C([C@H](/C=C/C=C/C=C/C=C(/C(=O)C=1C(=O)N(C)CCC1O)\C)O)O)C)OC)\C)=O)(CC)[C@@]2(O)O[C@@H](/C=C/C=C\C)C(C)(C)[C@@H](O)C2
Molecular Formula
C44H64N2O10
Molecular Weight
780.986
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kirrothricin

Kirrothricin is a member of piperidones.

CAS Number79190-00-4
PubChem CID139589077
IUPAC Name(2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7S,8S,9S,10E,12E,14E,16E)-8,9,18-trihydroxy-6-methoxy-5,7,17-trimethyl-18-(1-methyl-2,4-dioxopiperidin-3-ylidene)octadeca-2,4,10,12,14,16-hexaenyl]butanamide
Molecular FormulaC44H64N2O10
Molecular Weight781.0
XLogP6
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Heavy Atom Count56
Formal Charge0
Complexity1630
SMILES
CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@@H]([C@H](/C=C/C=C/C=C/C=C(\C)/C(=C1C(=O)CCN(C1=O)C)O)O)O)OC)[C@@]2(C[C@@H](C([C@@H](O2)/C=C/C=C\C)(C)C)O)O
InChI
InChI=1S/C44H64N2O10/c1-10-12-16-24-36-43(6,7)35(49)28-44(54,56-36)32(11-2)41(52)45-26-20-19-22-30(4)40(55-9)31(5)39(51)34(48)23-18-15-13-14-17-21-29(3)38(50)37-33(47)25-27-46(8)42(37)53/h10,12-24,31-32,34-36,39-40,48-51,54H,11,25-28H2,1-9H3,(H,45,52)/b12-10-,15-13+,17-14+,20-19+,23-18+,24-16+,29-21+,30-22+,38-37?/t31-,32+,34-,35-,36-,39-,40+,44-/m0/s1
InChIKey
SUMCRDMQIVHXRY-SUHFUJLHSA-N
Chemical Structure
2D Structure
2D structure of Kirrothricin
CAS: 79190-00-4
CID: 139589077
Formula: C44H64N2O10
MW: 781.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight781.0
XLogP36
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Exact Mass780.45609624
Monoisotopic Mass780.45609624
Topological Polar Surface Area186 Ų
Heavy Atom Count56
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255930-01Kirrothricin

Popular Products