CC(C)(C)OC(=O)CC(CC(CO)O)O
名称: tert-butyl 3,5,6-trihydroxyhexanoate
SMILES: CC(C)(C)OC(=O)CC(CC(CO)O)O

Molecular Processing

Molecular formula
C10H20O5
Molecular weight
220.26
Exact mass
220.1311
XLogP
-0.18
TPSA
86.99
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
54.18

Supplementary Information

InChIKey: XFNHABJTGIHGPN-UHFFFAOYSA-N
同義語
SCHEMBL1172340XFNHABJTGIHGPN-UHFFFAOYSA-Nt-butyl 3,5,6-trihydroxyhexanoate
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