Nybomycin

CAT: 0926-BBA32647-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-BBA32647-02Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

26326-47-6

Smiles

CC1=CC (=O) N2COC3=C2C1=CC4=C3N (C (=O) C=C4CO) C

Molecular Formula

C16H14N2O4

Molecular Weight

298.29 g/mol

Controlled

Chemical Information

Nybomycin

Nybomycin is a member of quinolines and an aromatic alcohol.

CAS Number	26326-47-6
PubChem CID	169159
IUPAC Name	6-(hydroxymethyl)-3,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione
Molecular Formula	C16H14N2O4
Molecular Weight	298.29
XLogP	-0.5
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	611

SMILES

CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CO)C

InChI

InChI=1S/C16H14N2O4/c1-8-3-13(21)18-7-22-16-14-11(5-10(8)15(16)18)9(6-19)4-12(20)17(14)2/h3-5,19H,6-7H2,1-2H3

InChIKey

HKMUGCUFXWTNSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26326-47-6

CID: 169159

Formula: C16H14N2O4

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	298.09535693
Monoisotopic Mass	298.09535693
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
461060-01	Nybomycin