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Kitamycin A

CAT: 0931-TN10940-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10940-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
225939-28-6
Target
Others
Related Pathways
Others
Bioactivity
Kitamycin A, initially isolated from Streptomyces sp. K385, exhibits activity that inhibits plant growth.
Smiles
N(C(=O)C1=C(O)C(NC=O)=CC=C1)[C@H]2[C@@H](C)OC(=O)[C@H](CCCCCC)[C@@H](O)[C@H](C)OC2=O
Molecular Formula
C23H32N2O8
Molecular Weight
464.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kitamycin A

Kitamycin A is an amidobenzoic acid.

CAS Number225939-28-6
PubChem CID9869050
IUPAC Name3-formamido-N-[(2R,3S,6S,7R,8R)-8-hexyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxybenzamide
Molecular FormulaC23H32N2O8
Molecular Weight464.5
XLogP3.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity687
SMILES
CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)O
InChI
InChI=1S/C23H32N2O8/c1-4-5-6-7-9-16-19(27)14(3)33-23(31)18(13(2)32-22(16)30)25-21(29)15-10-8-11-17(20(15)28)24-12-26/h8,10-14,16,18-19,27-28H,4-7,9H2,1-3H3,(H,24,26)(H,25,29)/t13-,14+,16-,18+,19+/m1/s1
InChIKey
GTUQGSSCDLWNEE-KZYWPTACSA-N
Chemical Structure
2D Structure
2D structure of Kitamycin A
CAS: 225939-28-6
CID: 9869050
Formula: C23H32N2O8
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass464.21586598
Monoisotopic Mass464.21586598
Topological Polar Surface Area151 Ų
Heavy Atom Count33
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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