200,000+ products from a single source!
sales@angenechem.com
211106-69-3 | Acridinium, 9-[[(3-carboxypropyl)[(4-methylphenyl)sulfonyl]amino]carbonyl]-10-(3-sulfopropyl)-, inner salt
CAS No: 211106-69-3 Catalog No: AG002L68 MDL No:
Product Description
Catalog Number:
AG002L68
Chemical Name:
Acridinium, 9-[[(3-carboxypropyl)[(4-methylphenyl)sulfonyl]amino]carbonyl]-10-(3-sulfopropyl)-, inner salt
CAS Number:
211106-69-3
Molecular Formula:
C28H29N2O8S2+
Molecular Weight:
585.6685
IUPAC Name:
3-[9-[3-carboxypropyl-(4-methylphenyl)sulfonylcarbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate
InChI:
InChI=1S/C28H28N2O8S2/c1-20-13-15-21(16-14-20)40(37,38)30(18-6-12-26(31)32)28(33)27-22-8-2-4-10-24(22)29(17-7-19-39(34,35)36)25-11-5-3-9-23(25)27/h2-5,8-11,13-16H,6-7,12,17-19H2,1H3,(H-,31,32,34,35,36)
InChI Key:
VYTOBATYLKBDAR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)C(=O)c1c2ccccc2[n+](c2c1cccc2)CCCS(=O)(=O)O
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.129g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
584.658g/mol
Monoisotopic Mass:
584.129g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.