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 |
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: | 156Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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