CC(=O)OC1C=CC(=O)N2CC(OC(C)=O)C(OC(C)=O)C12
名称: (1S,2R,8R,8aR)-1,2,8-triacetoxy-1,2,3,5,8,8a-hexahydro-5-oxyindolizine
SMILES: CC(=O)OC1C=CC(=O)N2CC(OC(C)=O)C(OC(C)=O)C12

Molecular Processing

Molecular formula
C14H17NO7
Molecular weight
311.29
Exact mass
311.1005
XLogP
-0.44
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
71.3

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→