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2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid structure
Fine Chemical

2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid

TL;DR: 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid (CAS 1027168-08-6) is a chemical compound with molecular formula C13H12N3O11PS2 and molecular weight 480.9651 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid

Also Known As: 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid, T33506

CAS Number
1027168-08-6
Molecular Formula
C13H12N3O11PS2
Molecular Weight
480.9651 g/mol
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Technical Specifications

Molecular FormulaC13H12N3O11PS2
Molecular Weight480.9651 g/mol
XLogP-2.0
Topological Polar Surface Area (TPSA)239.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors14
Rotatable Bonds5
Exact Mass480.9651 Da
Heavy Atoms30
Complexity916.0
SMILESC1C2=C(C(=NC=C2CO)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)OP(=O)(O1)O
InChIKeyKADPIJCRPXZLQS-UHFFFAOYSA-N

Chemical Property Profile of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid

XLogP
-2.0
TPSA (Topological Polar Surface Area)
239.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
14
Rotatable Bonds
5
Heavy Atoms
30
Complexity
916.0
Exact Mass
480.9651
Monoisotopic Mass
480.9651
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid

The XLogP value of -2.0 indicates that 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid?

The CAS number of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid is 1027168-08-6.

What is the molecular formula of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid?

The molecular formula of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid is C13H12N3O11PS2.

What is the molecular weight of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid?

The molecular weight of 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid is 480.9651 g/mol.

Where can I buy 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid?

You can request a quote for 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid?

Yes, CoreyChem provides custom synthesis services for 2-[[2-hydroxy-5-(hydroxymethyl)-2-oxo-4H-[1,3,2]dioxaphosphinino[4,5-c]pyridin-8-yl]diazenyl]benzene-1,4-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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