Compound C14H14N3O12PS2

4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonic acid

CAS: 149017-66-3

Molecular Formula	`C14H14N3O12PS2`
Molecular Weight	511.4 g/mol
LogP	-1.5
Topological Polar Surface Area	267.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	510.97565
Heavy Atoms	32
Complexity	956.0

Chemical Identifiers

CAS Number	149017-66-3
SMILES	`CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O`
InChIKey	`PNFZSRRRZNXSMF-UHFFFAOYSA-N`

📖 Product Overview

Compound C14H14N3O12PS2 (CAS: 149017-66-3) is a chemical compound with molecular formula C14H14N3O12PS2 and molecular weight 511.4 g/mol. Its IUPAC systematic name is 4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonic acid. LogP -1.5 Topological Polar Surface Area 267.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 15 Rotatable Bonds 8 Exact Mass 510.97565 Heavy Atoms 32 Complexity 956.0 InChI Key: PNFZSRRRZNXSMF-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O.

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