Keto-anhydrokinamycin

CAT: 0931-T32385Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T32385Size:25 mg

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CAS Number

120796-25-0

Target

Others

Related Pathways

Others

Bioactivity

Keto-anhydrokinamycin, as a keto-epoxide kinamycin intermediate, is isolated from Streptomyces murayamaensis.

Smiles

CC12OC1C(O)c1c(C2=O)c(=[N+]=[N-])c2c1c(=O)c1cccc(O)c1c2=O

Molecular Formula

C18H10N2O6

Molecular Weight

350.286

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Keto-anhydrokinamycin

isolated from Streptomyces murayamaensis; structure given in first source; keto-epoxide kinamycin intermediate

CAS Number	120796-25-0
PubChem CID	135554434
IUPAC Name	9-diazo-3,13-dihydroxy-6-methyl-5-oxapentacyclo[8.8.0.02,8.04,6.012,17]octadeca-1(10),2(8),12(17),13,15-pentaene-7,11,18-trione
Molecular Formula	C18H10N2O6
Molecular Weight	350.3
XLogP	0.6
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	939

SMILES

CC12C(O1)C(C3=C(C2=O)C(=[N+]=[N-])C4=C3C(=O)C5=C(C4=O)C(=CC=C5)O)O

InChI

InChI=1S/C18H10N2O6/c1-18-16(25)11-9(15(24)17(18)26-18)8-10(12(11)20-19)14(23)7-5(13(8)22)3-2-4-6(7)21/h2-4,15,17,21,24H,1H3

InChIKey

WFLXRNBIQLPMPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120796-25-0

CID: 135554434

Formula: C18H10N2O6

MW: 350.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	350.3
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	350.05388604
Monoisotopic Mass	350.05388604
Topological Polar Surface Area	106 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	939
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Keto-anhydrokinamycin

Chemical Information

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