Catalog Number:
AG00FACC
Chemical Name:
PHENOLPHTHALEIN GLUCURONIC ACID SODIUM SALT
CAS Number:
6820-54-8
Molecular Formula:
C26H21NaO10
Molecular Weight:
516.4287
MDL Number:
MFCD00051200
IUPAC Name:
sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylate
InChI:
InChI=1S/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1/t19-,20-,21+,22-,25+,26?;/m0./s1
InChI Key:
GBLJULUMBNYFAK-PDFLYTMFSA-M
SMILES:
Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)OC1OC(C(=O)[O-])C(C(C1O)O)O.[Na+] C26H21NaO10
EC Number:
229-896-3
