UCSF

ZINC12405152

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 6 Yes

Popular Name: 2,3-Butanediol 2,3-Butanediol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19132-06-0 , 24347-58-8 , 513-85-9 , 5341-95-7

Other Names:

"2,3-Butanediol, 98% [mixture of racemic and meso forms]"

(2RS,3SR)-2,3-butanediol; (2RS,3SR)-butane-2,3-diol; (2S,3R)-2,3-butananediol; (2S,3R)-butanane-2,3-diol; (R*,S*)-2,3-butanediol; (R*,S*)-butane-2,3-diol; (R,S)-2,3-butanediol; (R,S)-butane-2,3-diol; (R,S)-butylene glycol; NSC 2164; UNII-F5IA8X9O8M; eryth

(2S,3S)-(+)-2,3-Butanediol; (R*,R*)-1,4-dimercapto-2,3-butanediol; 1, 3-butanediol; 1,4-Dithiothreitol; 2,3-Butandiol; 2,3-Butanediol, [S-(R*,R*)]-; 2,3-butanodiol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; 4-dimercapto-2; 4-dithiothreitol; Butane-2,3-dio

(R,R)-(-)-2,3-Butanediol

(R,R)-(-)-2,3-ButyleneGlycol

(R,R)-2,3-Butanediol

(R,S)-2,3-butanediol; (R,S)-2,3-butylene glycol; (R,S)-butane-2,3-diol; CPD-12004; meso-2,3-butanediol; meso-2,3-butylene glycol; meso-butanediol

(S,S)-(+)-2,3-Butanediol

1,4-Dithiothreitol; 2,3-BUTANEDIOL (NATURALLY PRODUCED); 2,3-Butanediol, [R-(R*,R*)]-; 2,3-Butylene glycol; 2,3-Dihydroxybutane; 2.3-Butylene glycol; Butane-2,3-diol; D-2,3-Butane diol; Dimethylethylene glycol; Dithiothreitol; meso-2,3-Butanediol; threo-1

2,3-Butandiol;2,3-Butanediol;2,3-Butanodiol;2,3-Butylene glycol;2,3-Dihydroxybutane;Butane-2,3-diol;D-2,3-Butane diol;Dimethylethylene glycol

2,3-Butanediol (mixture of stereoisomers)

2,3-Butanediol, 98%, mixture of racemic and meso forms, techn.

2,3-Butanediol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; BRN 0969165; CCRIS 5501; Dimethylene glycol; Dimethylethylene glycol; EINECS 208-173-6; HSDB 1505; LS-45795; Pseudobutylene glycol; Sym-dimethylethylene glycol

2,3-Butanediol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; Dimethylene glycol; Dimethylethylene glycol; Pseudobutylene glycol; Sym-dimethylethylene glycol

2,3-Butanediol; >98%

2,3-Butylene glycol

butane-2,3-diol

Meso-2,3-butanediol

meso-butane-2,3-diol

MFCD00004523

MFCD00077669

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.22 -2.83 -3.49 2 2 0 40 90.122 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 180 Acros Organics
BP 182 TCI
Mp [°C] 19 Acros Organics
ALOGPS_SOLUBILITY 6.03e+02 g/l DrugBank-experimental
UniProt Database Links GLDA_CITFR ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )