Showing Metabocard for D-glycero-beta-D-manno-heptose 1-phosphate (BASm0004143)
| Common Name | D-glycero-beta-d-manno-heptose 1-phosphate |
|---|---|
| Description | D-glycero-D-manno-heptose 1-phosphate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. D-Glycero-D-manno-heptose 1-phosphate is involved in the biosynthesis of the lipopolysaccharide core precursor ADP-L-glycero-D-manno-heptose. (PMID 10629197 ) |
| Structure | |
| Molecular Formula | C7H13O10P |
| Average Mass | 288.14590 |
| Monoisotopic Mass | 288.02463 |
| IUPAC Name | (3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl phosphate |
| Traditional Name | (3s,4s,5s,6r)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl phosphate |
| CAS Registry Number | Not Available |
| SMILES | O=P([O-])([O-])O[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O |
| InChI Identifier | InChI=1S/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/p-2/t2-,3+,4+,5+,6-,7?/m1/s1 |
| InChI Key | KMEJCSKJXSBBAN-NNPWBXLPSA-L |
| CHEBI ID | CHEBI:61593 |
| State | Not Available |
| Water Solubility | 8.97e+01 g/l |
| logP | -2.27 |
| logS | -0.56 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 9 |
| Hydrogen Donor Count | 5 |
| Polar Surface Area | 182.8 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | Not Available |
| Formal Charge | -2 |
| Refractivity | 50.52 m³·mol⁻¹ |
| Polarizability | 22.96 |