Text Search
Structure Search

tetrasodium 4-amino-6-(2-{4'-[2-(8-amino-1-oxo-5,7-disulfonato-4H-naphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-oxo-8H-naphthalene-1,3-disulfonate

tetrasodium 4-amino-6-(2-{4'-[2-(8-amino-1-oxo-5,7-disulfonato-4H-naphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-oxo-8H-naphthalene-1,3-disulfonate

CAS: 314-13-6

Formula: C34H24N6Na4O14S4

SMILES: [Na+].[Na+].[Na+].[Na+].CC1=C(C=CC(=C1)C1=CC(C)=C(C=C1)N=NC1=CCC2=C(C(N)=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C1=O)N=NC1=CCC2=C(C(N)=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C1=O

IUPAC: tetrasodium 4-amino-6-(2-{4'-[2-(8-amino-1-oxo-5,7-disulfonato-1,4-dihydronaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-oxo-5,8-dihydronaphthalene-1,3-disulfonate

InChI: InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-4,7-14H,5-6,35-36H2,1-2H3,(H,43,44,45

Composition: C (42.50%), H (2.52%), N (8.75%), Na (9.57%), O (23.31%), S (13.35%)

Molar Mass: 960.79

Atom Count: 86

Heavy Atom Count: 62

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 959.98241129
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 2
InChIKey ZRVXTHHLIQTDJV-UHFFFAOYSA-J
Lipinski's Rule of Five
Molar Refractivity 211.99
Topological Polar Surface Area 364.42
Polarizability 80.79
Ring Count 6
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 314-13-6 $23.70-$61.15$23.70$31.34$38.22$61.15
Request Quote