What is the molecular formula of 4-Hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-2-[(7-sulpho-2-naphthyl)azo]naphthalenesulphonic acid?
The molecular formula is C37H26N6O12S3.
When was this compound created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name is 4-hydroxy-7-[[5-hydroxy-8-sulfo-7-[(7-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the InChIKey of this compound?
The InChIKey is LDKLPAISLIHHTB-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=C(C(=CC(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=CC(=C7)S(=O)(=O)O)S(=O)(=O)O.
What is the molecular weight of the compound?
The molecular weight is 842.8 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 7 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.3.
What is the exact mass of the compound?
The exact mass is 842.07708381 g/mol.
How many topological polar surface areas does this compound have?
It has a topological polar surface area of 319 Ų.
※ Please kindly note that our products are for research use only.