이름: methyl (5Z,13E)-(9R,11R,15R)-9-chloro-11,15-dihydroxy-16,16-dimethyl-5,13-prostadienoate
SMILES:
CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]1OMolecular Processing
Molecular formula
C23H39ClO4
Molecular weight
415.01
Exact mass
414.2537
XLogP
5.01
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
115.32
Supplementary Information
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