RSG
- Molecular formula
- C6 H10 O3
- Molecular weight (g/mol)
- 130.14
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
- SMILES
- C1COC2C1C(CO2)O
- Isomeric SMILES
- C1CO[C@@H]2[C@H]1[C@@H](CO2)O
- InChI
- InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1
- InChIKey
- RCDXYCHYMULCDZ-PBXRRBTRSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 1
- TPSA (Ų)
- 38.69
- cLogP
- -0.26
- Chiral atoms
- 3
- Molar refractivity
- 29.81
- Rings
- 2
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.491
NPScore0.11924669
SAScore7.450009427