meso-2,3-Butanediol

Details

• Internal ID: 00e5a9a1-4443-4be6-b9dc-1ac633864d24
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Polyols > 1,2-diols
• IUPAC Name: (2R,3S)-butane-2,3-diol
• SMILES (Canonical): CC(C(C)O)O
• SMILES (Isomeric): C[C@H]([C@H](C)O)O
• InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
• InChI Key: OWBTYPJTUOEWEK-ZXZARUISSA-N
• Popularity: 148 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₁₀O₂
• Molecular Weight: 90.12 g/mol
• Exact Mass: 90.068079557 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: -0.90

Synonyms

• 5341-95-7
• (2r,3s)-butane-2,3-diol
• (R,S)-2,3-butanediol
• meso-butanediol
• erythro-2,3-Butanediol
• 2,3-Butanediol, meso-
• UNII-F5IA8X9O8M
• 2,3-Butanediol, erythro-
• (R,S)-butane-2,3-diol
• 2,3-BUTANEDIOL (MESO)
• 2,3-Butanediol, (R*,S*)-
• NSC 2164
• F5IA8X9O8M
• NSC-2164
• meso-butane-2,3-diol
• 2,3-Butanediol, (2R,3S)-rel-
• BU9
• meso-butylene glycol
• 2, meso-
• (R,S)-butylene glycol
• AI3-00959
• erythro-butane-2,3-diol
• meso-2,3-dihydroxybutane
• meso-2,3-butylene glycol
• meso-dimethyl ethyleneglycol
• (2r,3s)-2,3-butanediol
• (R*,S*)-BUTANEDIOL
• (R*,S*)-2,3-butanediol
• (R,S)-2,3-butylene glycol
• meso-2,3-Butanediol, 99%
• (2S,3R)-2,3-butananediol
• (2RS,3SR)-2,3-butanediol
• (R*,S*)-butane-2,3-diol
• (2S,3R)-butanane-2,3-diol
• CHEBI:75460
• (2RS,3SR)-butane-2,3-diol
• NSC2164
• DTXSID301031540
• (ERYTHRO-) 2,3-BUTANEDIOL
• MFCD00077669
• AKOS025293375
• DB02418
• C20657
• meso-2,3-Butanediol, puriss., >=99.0% (GC)
• 2,3-BUTYLENE GLYCOL MESO-FORM (ERYTHRO-FORM)
• Q27093418
• 2,3-BUTYLENE GLYCOL MESO-FORM (ERYTHRO-FORM) [MI]

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.26%	96.09%
CHEMBL2581	P07339	Cathepsin D	84.36%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.10%	85.14%

Plants that contains it

• Aster koraiensis

Cross-Links

• PubChem: 220010
• LOTUS: LTS0083517
• wikiData: Q27093418