2-Carboxy-D-arabinitol 1-phosphate
PubChem CID: 129417
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| Compound Synonyms | 2-Carboxy-D-arabinitol 1-phosphate, 2-Carboxyarabinitol 1-phosphate, 106777-19-9, 1-PAC, ZFW7MEG9NT, (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid, 2-C-[(phosphonooxy)methyl]-D-ribonic acid, 2-C-((PHOSPHONOOXY)METHYL)-D-RIBONIC ACID, UNII-ZFW7MEG9NT, CA 1P, SCHEMBL16240275, CHEBI:17541, 2-CARBOXY-D-ARABITINOL 1-PHOSPHATE, D-Ribonic acid, 2-C-((phosphonooxy)methyl)-, C04234, Q27102450 |
|---|---|
| Topological Polar Surface Area | 185.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | UJTMIRNFEXKGMS-ZMIZWQJLSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2-Carboxy-D-arabinitol 1-phosphate |
| Heavy Atom Count | 17.0 |
| Compound Name | 2-Carboxy-D-arabinitol 1-phosphate |
| Description | 2-carboxyarabinitol 1-phosphate, also known as 1-pac, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-carboxyarabinitol 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxyarabinitol 1-phosphate can be found in a number of food items such as soy bean, potato, yellow wax bean, and common bean, which makes 2-carboxyarabinitol 1-phosphate a potential biomarker for the consumption of these food products. |
| Exact Mass | 276.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.025 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 276.14 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1 |
| Smiles | C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)O |
| Xlogp | -4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H13O10P |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all