CC(COC(=O)C(CC1=CC(=C(C=C1)O)O)N)OC(=O)C2=CC=CC=C2.CS(=O)(=O)O
Nombre: [(2R)-1-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxypropan-2-yl] benzoate;methanesulfonic acid
SMILES: CC(COC(=O)C(CC1=CC(=C(C=C1)O)O)N)OC(=O)C2=CC=CC=C2.CS(=O)(=O)O

Molecular Processing

Molecular formula
C20H25NO9S
Molecular weight
455.49
Exact mass
455.125
XLogP
1.26
TPSA
173.45
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
111.2

Supplementary Information

InChIKey: BFGJJGIBNQKBIQ-YLCXCWDSSA-N
Sinónimos
BFGJJGIBNQKBIQ-YLCXCWDSSA-N(2R)-2-phenylcarbonyloxypropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate mesylate(2R)-2-phenylcarbonyloxypropyl(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate mesylate
Ver fuente →
Participa en 32 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→