L-Valine Benzyl Ester 4-Toluenesulfonate
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Product Description
Product
L-Valine Benzyl Ester 4-Toluenesulfonate
CAS
16652-76-9
Formula
C12H17NO2.C7H8O3S
Synonym
C7-H8-O3-S; COMPONENT; EC 240-702-6; EINECS 240-702-6; Molecular Formula Fragments C12-H17-N-O2; Molecular Formulas ?Molecular Formula C12-H17-N-O2.C7-H8-O3-S; Registry Numbers CAS Registry Number 16652-76-9; System Generated Number 0016652769; Systematic Name O-Benzyl-L-valine toluene-p-sulphonate
Typical Product Specifications
Molecular weight
379.47
SMILES
CC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)[S](O)(=O)=O
InChI
QWUQVUDPBXFOKF-MERQFXBCSA-N
InChIKey
1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
Molecular weight
340.41
SMILES
C(c1ccc(cc1)OCC1CO1)(c1ccc(cc1)OCC1CO1)(C)C
InChI
1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
InChIKey
LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Storage Temperature
2-8°C
Water solubility
Soluble in 100% ethanol, dimethyl sulfoxide (100 mM), dimethyl formamide, chloroform, methanol, and ethanol (50 mM). Insoluble in water.
Melting Point
40-44 °C
Refractive Index
1.5735
BRN Number
299026
Boiling Point
210 °C / 1mmHg
Density
1,17 g/cm3
Chemical Structure
Class
Functions
L-Valine Benzyl Ester 4-Toluenesulfonate
Product Description
Product
L-Valine Benzyl Ester 4-Toluenesulfonate
CAS
16652-76-9
Formula
C12H17NO2.C7H8O3S
Synonym
C7-H8-O3-S; COMPONENT; EC 240-702-6; EINECS 240-702-6; Molecular Formula Fragments C12-H17-N-O2; Molecular Formulas ?Molecular Formula C12-H17-N-O2.C7-H8-O3-S; Registry Numbers CAS Registry Number 16652-76-9; System Generated Number 0016652769; Systematic Name O-Benzyl-L-valine toluene-p-sulphonate
Typical Product Specifications
Molecular weight
379.47
SMILES
CC(C)[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)[S](O)(=O)=O
InChI
QWUQVUDPBXFOKF-MERQFXBCSA-N
InChIKey
1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
Molecular weight
340.41
SMILES
C(c1ccc(cc1)OCC1CO1)(c1ccc(cc1)OCC1CO1)(C)C
InChI
1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
InChIKey
LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Storage Temperature
2-8°C
Water solubility
Soluble in 100% ethanol, dimethyl sulfoxide (100 mM), dimethyl formamide, chloroform, methanol, and ethanol (50 mM). Insoluble in water.
Melting Point
40-44 °C
Refractive Index
1.5735
BRN Number
299026
Boiling Point
210 °C / 1mmHg
Density
1,17 g/cm3
Chemical Structure
Class
Functions
