P0S
- Molecular formula
- H6 O18 P6
- Molecular weight (g/mol)
- 479.87
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
- SMILES
- OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O
- Isomeric SMILES
- OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O
- InChI
- InChI=1S/H6O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)
- InChIKey
- SZGVJLCXTSBVKL-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 12
- HBD
- 6
- TPSA (Ų)
- 279.18
- cLogP
- 0.7
- Chiral atoms
- 0
- Molar refractivity
- 65.46
- Rings
- 1
- Aromatic rings
- 0
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.26
NPScore0.125686725
SAScore6.554397111