5,5'-(Hydroxyphosphoryl)diisophthalic acid

Catalog Number	ACM315664574-1
CAS	315664-57-4
Synonyms	5,5'-Phosphinicobisisophthalic acid; 5-[(3,5-dicarboxyphenyl)-hydroxyphosphoryl]benzene-1,3-dicarboxylic acid
IUPAC Name	5-[(3,5-dicarboxyphenyl)-hydroxyphosphoryl]benzene-1,3-dicarboxylic acid
Molecular Weight	394.23
Molecular Formula	C16H11O10P
InChI	NIOQUEOMFLZFJG-UHFFFAOYSA-N
InChI Key	InChI=1S/C16H11O10P/c17-13(18)7-1-8(14(19)20)4-11(3-7)27(25,26)12-5-9(15(21)22)2-10(6-12)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)
Purity	98%
Isomeric SMILES	C1=C(C=C(C=C1C(=O)O)P(=O)(C2=CC(=CC(=C2)C(=O)O)C(=O)O)O)C(=O)O

Q&A

What is the molecular formula of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

The molecular formula is C16H11O10P.

What is the Exact Mass of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

The Exact Mass is 394.00898354.

How many Heavy Atom Count are present in 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

There are 27 Heavy Atom Count.

What is the Canonical SMILES of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

C1=C(C=C(C=C1C(=O)O)P(=O)(C2=CC(=CC(=C2)C(=O)O)C(=O)O)O)C(=O)O

How many Rotatable Bond Count are present in 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

There are 6 Rotatable Bond Count.

What is the Computed Properties Topological Polar Surface Area of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

The Topological Polar Surface Area is 187.

What is the InChIKey of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

The InChIKey is NIOQUEOMFLZFJG-UHFFFAOYSA-N

How many Hydrogen Bond Acceptor Count are present in 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

There are 10 Hydrogen Bond Acceptor Count.

What is the IUPAC Name of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

The IUPAC Name is 5-[(3,5-dicarboxyphenyl)-hydroxyphosphoryl]benzene-1,3-dicarboxylic acid.

What is the Depositor-Supplied Synonyms of 5,5'-(Hydroxyphosphoryl)diisophthalic acid?

Some Depositor-Supplied Synonyms are SCHEMBL563575, YSCK0183, CS-0379439.