Showing Metabocard for D-glycero-beta-D-manno-heptose 1,7-bisphosphate (BASm0003963)
| Common Name | D-glycero-beta-d-manno-heptose 1,7-bisphosphate |
|---|---|
| Description | D-glycero-D-manno-heptose 1,7-bisphosphate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. |
| Structure | |
| Molecular Formula | C7H16O13P2 |
| Average Mass | 370.14170 |
| Monoisotopic Mass | 370.00661 |
| IUPAC Name | {[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1R)-1-hydroxy-2-(phosphonooxy)ethyl]oxan-2-yl]oxy}phosphonic acid |
| Traditional Name | [(3s,4s,5s,6r)-3,4,5-trihydroxy-6-[(1r)-1-hydroxy-2-(phosphonooxy)ethyl]oxan-2-yl]oxyphosphonic acid |
| CAS Registry Number | Not Available |
| SMILES | O=P([O-])([O-])OC[C@@H](O)[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O |
| InChI Identifier | InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7?/m1/s1 |
| InChI Key | LMTGTTLGDUACSJ-NNPWBXLPSA-N |
| CHEBI ID | CHEBI:60208 |
| State | Not Available |
| Water Solubility | 1.90e+01 g/l |
| logP | -1.55 |
| logS | -1.29 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 11 |
| Hydrogen Donor Count | 8 |
| Polar Surface Area | 223.67 Ų |
| Rotatable Bond Count | 6 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 63.63 m³·mol⁻¹ |
| Polarizability | 28.07 |