(S)-(+)-1,2-Isopropylideneglycerol - CAS 22323-82-6

Catalog:	BB017525
Product Name:	(S)-(+)-1,2-Isopropylideneglycerol
CAS:	22323-82-6
Synonyms:	[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol; [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Technical Data

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Computed Properties

QC Data

IUPAC Name:	[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Description:	A MEK inhibitor with antitumor activity.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CC1(OCC(O1)CO)C
InChI:	InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:	RNVYQYLELCKWAN-YFKPBYRVSA-N
Boiling Point:	82-83 °C (14 mmHg)
Density:	1.07 g/cm³
MDL:	MFCD00063239
LogP:	0.13020

Publication Number	Title	Priority Date
US-11066358-B1	Compositions of essentially pure form IV of N-((R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof	20210217
US-11084780-B1	Crystalline solids of MEK inhibitor N-((R)-2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide and uses thereof	20210217
CN-112625200-A	Covalent organic framework material and preparation method thereof	20201203
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2021041671-A1	Kras g12d inhibitors	20190829

PMID	Publication Date	Title	Journal
22193924	20120221	Design and synthesis of fluorescence-labeled closo-dodecaborate lipid: its liposome formation and in vivo imaging targeting of tumors for boron neutron capture therapy	Organic & biomolecular chemistry
18721749	20080825	Loop grafting of Bacillus subtilis lipase A: inversion of enantioselectivity	Chemistry & biology
18383241	20080505	A novel genetic selection system for improved enantioselectivity of Bacillus subtilis lipase A	Chembiochem : a European journal of chemical biology
16906494	20061101	Fourier transform near-infrared vibrational circular dichroism used for on-line monitoring the epimerization of 2,2-dimethyl-1,3-dioxolane-4-methanol: A pseudo racemization reaction	Chirality
16782351	20060915	A Staphylococcus aureus lipoteichoic acid (LTA) derived structural variant with two diacylglycerol residues	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H227 (20%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2