CCC(=O)Oc1cc(C)c(OCCCCC(P(=O)(CC)CC)P(=O)(CC)CC)c(C)c1CCC(=O)O
名称: acid 134
SMILES: CCC(=O)Oc1cc(C)c(OCCCCC(P(=O)(CC)CC)P(=O)(CC)CC)c(C)c1CCC(=O)O

Molecular Processing

Molecular formula
C27H46O7P2
Molecular weight
544.61
Exact mass
544.2719
XLogP
7.32
TPSA
106.97
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
17
Heavy atoms
36
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.704
Molar refractivity
148.31

Supplementary Information

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