2-C-Hydroxymethyl-D-ribose

Details

• Internal ID: e13b53e7-4fd5-4b61-9b29-f98f20c07442
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
• IUPAC Name: (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanal
• SMILES (Canonical): C(C(C(C(CO)(C=O)O)O)O)O
• SMILES (Isomeric): C([C@H]([C@H]([C@](CO)(C=O)O)O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-4(10)5(11)6(12,2-8)3-9/h2,4-5,7,9-12H,1,3H2/t4-,5-,6-/m1/s1
• InChI Key: ZGVNGXVNRCEBDS-HSUXUTPPSA-N
• Popularity: 83 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16 g/mol
• Exact Mass: 180.06338810 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: -3.70

Synonyms

• 2-C-Hydroxymethyl-D-ribose
• 2-C-(hydroxymethyl)-D-ribose
• 3107IMR9FU
• (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanal
• CHEBI:18004
• D-Ribose, 2-C-(hydroxymethyl)-
• HAMAMELOSE [MI]
• UNII-3107IMR9FU
• SCHEMBL5496629
• HAMAMELOSE D-FORM [MI]
• HY-W145688
• CS-0226130
• Q27102754
• 469-33-0

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.89%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.77%	96.09%
CHEMBL2581	P07339	Cathepsin D	83.61%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.60%	95.56%

Plants that contains it

• Cnidium monnieri
• Marsdenia tomentosa
• Trachyspermum ammi

Cross-Links

• PubChem: 193393
• LOTUS: LTS0269281
• wikiData: Q27102754