$CCCCCCCC1(CC[C@H]2[C@H](OC3CCCCO3)CC(=O)[C@@H]2C/C=C\CCCCCC(=O)[O-])OCCO1$

Name: compound ( 77 )

SMILES: CCCCCCCC1(CC[C@H]2[C@H](OC3CCCCO3)CC(=O)[C@@H]2C/C=C\CCCCCC(=O)[O-])OCCO1

Molecular Processing

Molecular formula

C31H51O7-

Molecular weight

535.74

Exact mass

535.364

XLogP

5.63

TPSA

94.12

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

-1

Heteroatoms

Covalent units

Fraction Csp3

0.871

Molar refractivity

144.16

Supplementary Information

Details werden geladen…