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(S) - (+) -1,2-Propanediol

CAT: 0804-HY-79334-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-79334-01Size:100 g
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Description
(S) - (+) -1,2-Propanediol is an endogenous metabolite. (S) - (+) -1,2-Propanediol can be used as an organic solvent and diluent in drug preparations. (S) - (+) -1,2-Propanediol can also be used as a chiral synthetic intermediate and a substrate for enzyme research[1].
CAS Number
4254-15-3
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s-plus-1-2-propanediol.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@H](O)CO
Molecular Formula
C3H8O2
Molecular Weight
76.09
Precautions
H302, H315, H319, H335
References & Citations
[1]S.Jabrane, et al. Vitrification and crystallization in the R (−) 1,2-propanediol-S (+) 1,2-propanediol system. Thermochimica Acta. Volume 258, 1 July 1995, Pages 33-47.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

(S)-propane-1,2-diol

(S)-propane-1,2-diol is a propane-1,2-diol. It has a role as an Escherichia coli metabolite and a human metabolite. It is an enantiomer of a (R)-propane-1,2-diol.

CAS Number4254-15-3
PubChem CID439846
IUPAC Name(2S)-propane-1,2-diol
Molecular FormulaC3H8O2
Molecular Weight76.09
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity20
SMILES
C[C@@H](CO)O
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
InChIKey
DNIAPMSPPWPWGF-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of (S)-propane-1,2-diol
CAS: 4254-15-3
CID: 439846
Formula: C3H8O2
MW: 76.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight76.09
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass76.052429494
Monoisotopic Mass76.052429494
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity20.9
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes