CCC(=O)Oc1cc(C)c(OCCCCC(P(=O)(CC)CC)P(=O)(CC)CC)c(C)c1CCC(=O)OCc1ccccc1
名称: Compound 133
SMILES: CCC(=O)Oc1cc(C)c(OCCCCC(P(=O)(CC)CC)P(=O)(CC)CC)c(C)c1CCC(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C34H52O7P2
Molecular weight
634.73
Exact mass
634.3188
XLogP
8.98
TPSA
95.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
19
Heavy atoms
43
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
176.91

Supplementary Information

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