Name: methyl 2-(acetyloxy)-5-(3-{[bis(benzyloxy)phosphoryl]oxy}propyl)-3-methylbenzoate
SMILES:
COC(=O)c1cc(CCCOP(=O)(OCc2ccccc2)OCc2ccccc2)cc(C)c1OC(C)=OMolecular Processing
Molecular formula
C28H31O8P
Molecular weight
526.52
Exact mass
526.1757
XLogP
6.2
TPSA
97.36
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
138.17
Supplementary Information
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Involved in 4 reactions→