2-Deoxy-D-ribofuranose
Athanor · official
C5H10O4 · 134.13 g/mol
IUPAC name: (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
Also called deoxyribose, DNA sugar, 2-deoxyribose, thyminose
WarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritationNames and identifiers
- IUPAC name
- (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
- Synonyms
- deoxyribose, DNA sugar, 2-deoxyribose
+ 34 more
thyminose, 2 Deoxyribose, RefChem:403486, GlyTouCan:G10911CG, G10911CG, (2S,4R,5S)-5-(hydroxymethyl)oxolane-2,4-diol, D-erythro-Pentose, 2-deoxy-, Deoxyribose, (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol, (4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,4-diol, Cladribine EP impurity E, MFCD00075746, 2-desoxyribose, Impurities in Clavudine 8, Cladribine EP Impurity E, SCHEMBL36812, BROX-003, SCHEMBL3719486, SCHEMBL6330159, 2-Deoxy-D-erythro-pentofuranose, CHEBI:90761, PDWIQYODPROSQH-PYHARJCCSA-N, GLXC-19342, Ribofuranose, 2-deoxy- [-H2O], AKOS006271845, AC-6194, AT39710, AS-94902, SY141355, (4S,5R)-5-methyloltetrahydrofuran-2,4-diol, C01801, EN300-104560, Q27162723, 28EE252E-18BB-427B-87DE-25EEA2FA6E02
- Molecular formula
- C5H10O4
- Empirical formula
- C5H10O4
- Molecular weight
- 134.13 g/mol
- Exact mass
- 134.05791
- CAS number
- 533-67-5
- PubChem CID
- 9828112
- Canonical SMILES
- C1C(C(OC1O)CO)O
- Isomeric SMILES
- C1[C@@H]([C@H](OC1O)CO)O
- InChI
- InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1
- InChIKey
- PDWIQYODPROSQH-PYHARJCCSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 9
- Rings
- 1
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 1
- H-bond donors
- 3
- H-bond acceptors
- 4
- Rotatable bonds
- 1
- TPSA (Ų)
- 69.9
- Formal charge
- 0
- XLogP3
- -1 PubChem
- Complexity
- 95 PubChem
- Stereocenters
- 2 defined, 1 undefinedCIP: C3: R · C5: undefined · C8: S
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C44.77%
- H7.52%
- O47.71%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -1.55 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.37 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.68 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 134.13
- log P ≤ 5 (Crippen): -1.55
- H-bond donors ≤ 5: 3
- H-bond acceptors ≤ 10: 4
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Warning
From European Chemicals Agency (ECHA). Source [1].
- Harmful or irritant
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Safety data sheets on the supplier’s page: AA BLOCKS, RR Scientific, Molport.
Always read the supplier’s safety data sheet before working with it.
Spectra
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.