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(2R3R) - (-) -23-Butanediol

CAT: 0013-GTR19158528-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158528-01Size:200 mg
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Description
(2R3R) -23-Butanediol is found in cocoa and cocoa products. (2R3R) -23-Butanediol is isolated from cocoa butter and roots of Ruta graveolens (rue) .23-Butanediol is one of the constitutional isomers of butanediol. The 2R3R stereoisomer of 23-butanediol is produced by a variety of microorganisms in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens.
CAS Number
24347-58-8
Product Name Alternative
Levo-23-Butanediol
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
C[C@@H] (O) [C@@H] (C) O
Molecular Formula
C4H10O2
Molecular Weight
90.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2R,3R)-Butanediol

(R,R)-butane-2,3-diol is the (R,R) diastereoisomer of butane-2,3-diol. It has a role as a Saccharomyces cerevisiae metabolite. It is an enantiomer of a (S,S)-butane-2,3-diol.

CAS Number24347-58-8
PubChem CID225936
IUPAC Name(2R,3R)-butane-2,3-diol
Molecular FormulaC4H10O2
Molecular Weight90.12
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity30
SMILES
C[C@H]([C@@H](C)O)O
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKey
OWBTYPJTUOEWEK-QWWZWVQMSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R)-Butanediol
CAS: 24347-58-8
CID: 225936
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.12
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass90.068079557
Monoisotopic Mass90.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity30.5
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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