N-Phthaloylglycine 2-[5-Amino-3-carboxy-2,4,6-triiodobenzoyl]aminoethyl Ester - CAS 1798026-94-4

Catalog:	BB058147
Product Name:	N-Phthaloylglycine 2-[5-Amino-3-carboxy-2,4,6-triiodobenzoyl]aminoethyl Ester
CAS:	1798026-94-4
Synonyms:	3-Amino-5-[2-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyethylcarbamoyl]-2,4,6-triiodobenzoic acid; N-Phthaloylglycine 2-[5-Amino-3-carboxy-2,4,6-triiodobenzoyl]aminoethyl Ester; 3-Amino-5-((2-(2-(1,3-dioxoisoindolin-2-yl)acetoxy)ethyl)carbamoyl)-2,4,6-triiodobenzoic acid

Technical Data

IUPAC Name:	3-amino-5-[2-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyethylcarbamoyl]-2,4,6-triiodobenzoic acid
Description:	N-Phthaloylglycine 2-[5-Amino-3-carboxy-2,4,6-triiodobenzoyl]aminoethyl Ester (cas# 1798026-94-4) is a compound useful in organic synthesis.
Molecular Weight:	789.05
Molecular Formula:	C20H14I3N3O7
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCCNC(=O)C3=C(C(=C(C(=C3I)N)I)C(=O)O)I
InChI:	InChI=1S/C20H14I3N3O7/c21-13-11(14(22)16(24)15(23)12(13)20(31)32)17(28)25-5-6-33-10(27)7-26-18(29)8-3-1-2-4-9(8)19(26)30/h1-4H,5-7,24H2,(H,25,28)(H,31,32)
InChI Key:	VLRZGXOWKXRWTB-UHFFFAOYSA-N
Appearance:	Brown Solid
Storage:	Refrigerator

Complexity:	805
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	788.7966
Formal Charge:	0
Heavy Atom Count:	33
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	788.7966
Rotatable Bond Count:	8
Topological Polar Surface Area:	156Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6