C1C(OC2=C(SC(=C2O1)C(=O)O)C(=O)O)CO
Nom: 3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
SMILES: C1C(OC2=C(SC(=C2O1)C(=O)O)C(=O)O)CO

Molecular Processing

Molecular formula
C9H8O7S
Molecular weight
260.22
Exact mass
259.9991
XLogP
0.28
TPSA
113.29
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.23

Supplementary Information

InChIKey: NXFYICTWDZERRY-UHFFFAOYSA-N
Synonymes
SCHEMBL1141138NXFYICTWDZERRY-UHFFFAOYSA-N2-hydroxymethyl-2,3-dihydro-thieno[3,4-b] [1,4] dioxine-5,7-dicarboxylic acid2-Hydroxymethyl-2,3-dihydro-thieno[3,4-b] [1,4]dioxine-5,7-dicarboxylic acid2-hydroxymethyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
Voir la source →
Impliqué dans 16 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→