CCOP(=O)(CP(=O)(OCC)c1ccc(OC(=O)CC)c(C(C)(C)CC(=O)O)c1)OCC
الاسم: acid 124
SMILES: CCOP(=O)(CP(=O)(OCC)c1ccc(OC(=O)CC)c(C(C)(C)CC(=O)O)c1)OCC

Molecular Processing

Molecular formula
C21H34O9P2
Molecular weight
492.44
Exact mass
492.1678
XLogP
4.92
TPSA
125.43
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
32
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
122.24

Supplementary Information

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