$CC(C)=CCC/C(C)=C/CC/C(=C\CC/C(C)=C/CO)CO.O=S(=O)(O)OS(=O)(=O)O.c1ccncc1$

Name: (E,E,E)-7-hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol disulfate pyridine salt

SMILES: CC(C)=CCC/C(C)=C/CC/C(=C\CC/C(C)=C/CO)CO.O=S(=O)(O)OS(=O)(=O)O.c1ccncc1

Molecular Processing

Molecular formula

C25H41NO9S2

Molecular weight

563.74

Exact mass

563.2223

XLogP

4.79

TPSA

171.32

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.48

Molar refractivity

145.32

Supplementary Information

Details werden geladen…