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101708-53-6 | 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-hydroxy-5-sulfophenyl)diazenyl]-
CAS No: 101708-53-6 Catalog No: AG00059M MDL No:
Product Description
Catalog Number:
AG00059M
Chemical Name:
2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-hydroxy-5-sulfophenyl)diazenyl]-
CAS Number:
101708-53-6
Molecular Formula:
C18H15N3O12S3
Molecular Weight:
561.5196
IUPAC Name:
5-acetamido-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C18H15N3O12S3/c1-8(22)19-13-7-11(35(28,29)30)4-9-5-15(36(31,32)33)17(18(24)16(9)13)21-20-12-6-10(34(25,26)27)2-3-14(12)23/h2-7,23-24H,1H3,(H,19,22)(H,25,26,27)(H,28,29,30)(H,31,32,33)
InChI Key:
MCSWYFKMEBKICZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1cc(ccc1O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.982g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
561.507g/mol
Monoisotopic Mass:
560.982g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
283A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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