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2-Deoxy-D-Ribono-1,4-Lactone

PubChem CID: 161815

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Compound Synonyms 34371-14-7, (4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one, (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one, 2-Deoxyribonolactone, 2-Deoxy-D-ribonic acid-1,4-lactone, 2-deoxy-D-ribono-1,4-lactone, 2-Deoxy-D-ribonic-1,4-lactone, Deoxyribonolactone, 2-Deoxy-ribono-1,4-lactone, CHEBI:17281, 2,4,5-Trihydroxypentanoic acid gamma-lactone, 2-deoxy-D-erythro-pentonic acid gamma-lactone, DTXSID501308989, 73209-20-8, rel-(4S,5R)-4-Hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one, MFCD15144952, 2'-Deoxyribolactone, 2-deoxyribono-1,4-lactone, CHEMBL98888, SCHEMBL3394583, YIXDEYPPAGPYDP-IUYQGCFVSA-N, DTXCID201738884, AKOS022184490, MD00127, 2-deoxy-D-erythro-pentono-1,4-lactone, DS-18636, CS-0053170, C02674, P19126, 2-Deoxy-D-ribono-1,4-lactone, >=95% (GC), EN300-1699866, D-erythro-Pentonic acid, 2-deoxy-, gamma-lactone, Q27102301, (4S,5R)-4-Hydroxy-5-(hydroxymethyl)dihydro-2(3H)-furanone, 973-337-2
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCC1
Deep Smiles OC[C@H]OC=O)C[C@@H]5O
Heavy Atom Count 9.0
Classyfire Class Lactones
Scaffold Graph Node Level OC1CCCO1
Classyfire Subclass Gamma butyrolactones
Isotope Atom Count 0.0
Molecular Complexity 122.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id P43116, n.a.
Iupac Name (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp -0.9
Gsk 4 400 Rule True
Molecular Formula C5H8O4
Scaffold Graph Node Bond Level O=C1CCCO1
Prediction Swissadme 0.0
Inchi Key YIXDEYPPAGPYDP-IUYQGCFVSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs 0.571
Rotatable Bond Count 1.0
Logd -0.799
Synonyms 2-deoxy-d-lyxono-1,4-lactone, 2-deoxy-d-ribono-1,4-lactone
Esol Class Very soluble
Functional Groups CC(=O)OC, CO
Compound Name 2-Deoxy-D-Ribono-1,4-Lactone
Prediction Hob Swissadme 0.0
Exact Mass 132.042
Formal Charge 0.0
Monoisotopic Mass 132.042
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 132.11
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -0.051312999999999886
Inchi InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1
Smiles C1[C@@H]([C@H](OC1=O)CO)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule False