RefChem:211715

2-amino-2-ethylpropane-1,3-diol;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate

Also Known As: Thymolphthalein monophosphate, 2-amino-2-ethyl-1,3-propanediol salt|1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-ethyl-1,3-propanediol (1:1)|1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, compd. with 2-amino-2-ethyl-1,3-propanediol (1:1)|4-{1-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl dihydrogen phosphate- 2-amino-2-ethylpropane-1,3-diol(1:1)|2-amino-2-ethylpropane-1,3-diol; [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate|4-{1-[4-Hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl dihydrogen phosphate--2-amino-2-ethylpropane-1,3-diol (1/1)

Molecular Formula	C33H44NO9P
Molecular Weight	629.2754 g/mol
LogP	5.27
Topological Polar Surface Area	179.77 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	629.2754
Heavy Atoms	44
Complexity	1550.8

Chemical Identifiers

CAS Number	69847-47-8
SMILES	CCC(CO)(CO)N.CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)O)C(C)C)C(C)C)O