RefChem:80659

2-[bis(2-hydroxyethyl)amino]ethanol;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethyl]benzenesulfonic acid

Also Known As: EINECS 261-232-8|2,2'-(Ethylene)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)benzenesulphonic) acid, compound with 2,2',2''-nitrilotriethanol (1:2)|2,2'-(ethylene)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]benzenesulphonic] acid, compound with 2,2',2''-nitrilotriethanol (1:2)|Benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)|2,2'-(Ethane-1,2-diyl)bis[5-({4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)benzene-1-sulfonic acid]--2,2',2''-nitrilotri(ethan-1-ol) (1/1)|2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethyl]benzenesulfonic acid|261-232-8

Molecular Formula	C36H55N11O15S2
Molecular Weight	945.33203 g/mol
LogP	-2.3131
Topological Polar Surface Area	379.93 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	24
Rotatable Bonds	27
Exact Mass	945.33203
Monoisotopic Mass	945.33203
Heavy Atoms	64
Complexity	2108.4563

Chemical Identifiers

CAS Number	58381-76-3
SMILES	COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)CCC3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO