7-[5-(2-Amino-2-carboxyethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid | CAS No. 23241-56-7

Basic Information

7-[5-(2-Amino-2-carboxyethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid

CAS Number

23241-56-7

Molecular Formula

C25H17NO13

Molecular Weight

539.405 g/mol

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Basic Physical Properties

Boiling Point

970.965°C at 760 mmHg

Density

1.863

Flash Point

541.02°C

Refractive Index

1.818

SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)C2=C(C3=C(C(=C2O)O)C(=O)C4=CC(=C(C(=C4C3=O)C(=O)O)C(=O)O)O)O)O

InChI

InChI=1S/C25H17NO13/c26-9(23(34)35)4-6-1-2-10(27)7(3-6)13-20(31)17-16(22(33)21(13)32)18(29)8-5-11(28)14(24(36)37)15(25(38)39)12(8)19(17)30/h1-3,5,9,27-28,31-33H,4,26H2,(H,34,35)(H,36,37)(H,38,39)

InChIKey

VRXULZFQCGXCRV-UHFFFAOYSA-N

LogP

1.0077999999999998

Topological Polar Surface Area

273.2099999999999 Ų

Hydrogen Bond Donor/Acceptor

10 / 14

Complexity

1030

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Synonyms & References

English

  • LACCAIC ACID C
  • SCHEMBL2138295
  • Q27162390
  • HY-N12387
  • CS-0901340
  • 7-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid
  • 7-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
  • 23241-56-7
  • CHEBI:90192
  • 1,2-Anthracenedicarboxylicacid,7-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-9,10-dihydro-3,5,6,8-tetrahydroxy-9,10-dioxo-
  • 1,2-Anthracenedicarboxylicacid,7-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-9,10-dihydro-3,5...
  • 2-[5-(2-Carboxy-2-amino-ethyl)-2-hydroxy-phenyl]-7.8-dicarboxy-1.3.4.6-tetrahydroxy-anthrachinon
  • 7-[2-Hydroxy-5-(2-carboxy-2-aminoethyl)phenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid
  • 7-[5-(2-Amino-2-carboxyethyl)-2-hydroxyphenyl]-9,10-dihydro-3,5,6,8-tetrahydroxy-9,10-dioxo-1,2-anthracenedicarboxylic acid
  • Laccainsaeure C

CAS Number

23241-56-7

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