3,4,5-Trihydroxypentanal
PubChem CID: 10786
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| Compound Synonyms | 3,4,5-trihydroxypentanal, 2-Deoxypentose, 2-DEOXY-L-RIBOSE, D-2-Deoxyribose, D-Ribose, 2-deoxy-, 18546-37-7, 408526-38-5, D-erythro-Pentose, 2-deoxy-, Ribose, 2-deoxy-, 2-Deoxy-D-arabinose, .deoxyribose, MFCD00135904, MFCD09880214, 2-Desoxy ribose, D-2-Desoxyribose, Ribose, 2-deoxy-, D-, SCHEMBL477499, 2-Deoxypentose-, D-erythro- #, DTXSID30862138, ASJSAQIRZKANQN-UHFFFAOYSA-N, CHEBI:131350, NSC76307, NSC-76307, AS-11980, SY023057, SY067421, DB-021000, DB-021003, NS00120213, EN300-244299, 2-Deoxy-D-ribose,low endotoxins ≤ 10 EU/mg, Q27225109, 06FD3444-8F86-4568-B467-7DE978E83287, 2-Deoxy-D-arabinose, 2-Deoxy-D-erythropentose, Thyminose, (3S,4R)-3,4,5-trihydroxypentanal |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OCCCO))O))CC=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y315, Q96G03, O43598, Q6A8F1, Q1JHB7, C0MG52, Q5PK21, A1AJV0, Q1J736, Q8CMH6, Q1JM72, A1AJU8, Q9ZK37, Q6A655, B8A556, Q18B86, C0M7X5, P0CH94, Q1J4Z3, Q18C22, B9E8I3, Q1JC88, C0ME45, Q1JK46, Q1JF38, C4ZB25, Q4L817, Q89ZF2, C4Z3P0, Q4L819, Q8DWZ0, C0M9B0, Q4JSV3, B9E8I5, Q1J9Z9 |
| Iupac Name | 3,4,5-trihydroxypentanal |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O4 |
| Inchi Key | ASJSAQIRZKANQN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3,4,5-Trihydroxypentanal, Deoxyribose, 2-Deoxyribose, 2-Deoxy-D-ribose, 2 Deoxyribose, 2-deoxyribose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO |
| Compound Name | 3,4,5-Trihydroxypentanal |
| Kingdom | Organic compounds |
| Exact Mass | 134.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 134.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2 |
| Smiles | C(C=O)C(C(CO)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Beta-hydroxy aldehydes |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Sappan (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12135103 - 3. Outgoing r'ship
FOUND_INto/from Sinopodophyllum Hexandrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21783696