STO-609 acetate 2mg

CAT: 0628-A16345-2Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A16345-2Size:2 mg

Selected

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

Quick Request Actions

CAS Number

1173022-21-3

Chemical Information

STO-609 acetate

CAS Number	1173022-21-3
PubChem CID	16760660
IUPAC Name	acetic acid;11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid
Molecular Formula	C21H14N2O5
Molecular Weight	374.3
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	596

SMILES

CC(=O)O.C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)C(=O)O

InChI

InChI=1S/C19H10N2O3.C2H4O2/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18;1-2(3)4/h1-9H,(H,23,24);1H3,(H,3,4)

InChIKey

WNRSTFUVBWNELX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1173022-21-3

CID: 16760660

Formula: C21H14N2O5

MW: 374.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	374.09027155
Monoisotopic Mass	374.09027155
Topological Polar Surface Area	109 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	596
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	2
Compound Is Canonicalized	Yes