名称: methyl 7-[(1R,2R,3R,5S)-5-acetoxy-2-formyl-3-(2-tetrahydropyranyloxy)cyclopentyl]heptanate
SMILES:
COC(=O)CCCCCC[C@@H]1[C@@H](C=O)[C@H](OC2CCCCO2)C[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C21H34O7
Molecular weight
398.5
Exact mass
398.2305
XLogP
3.18
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
28
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
101.4
Supplementary Information
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