이름: (13E)-(8R,9R,11R,12R,15S,16RS)-9-chloro-11,15-bis(tetrahydropyran-2-yloxy)-16,19-dimethyl-13,18-prostadienoic acid methylsulfonylamide
SMILES:
CC(C)=CCC(C)[C@@H](/C=C/[C@@H]1[C@@H](CCCCCCC(=O)NS(C)(=O)=O)[C@H](Cl)C[C@H]1OC1CCCCO1)OC1CCCCO1Molecular Processing
Molecular formula
C33H56ClNO7S
Molecular weight
646.33
Exact mass
645.3466
XLogP
7.02
TPSA
100.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
43
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
8
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.848
Molar refractivity
171.21
Supplementary Information
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