CC(=O)CC(C)(C)O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
名称: diacetone α-D-glucose
SMILES: CC(=O)CC(C)(C)O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Processing

Molecular formula
C12H24O8
Molecular weight
296.32
Exact mass
296.1471
XLogP
-2.48
TPSA
147.68
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.917
Molar refractivity
67.58

Supplementary Information

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