Sophorose monohydrate, CAS:534-46-3

SophoroseSophorose is an inducer for gene expression in Trichoderma reesei.Title:?SophoroseCAS Registry Number:?534-46-3CAS Name:?2-O-b-D-Glucopyranosyl-a-D-glucoseMolecular Formula:?C12H22O11Molecular Weight:?342.30Percent Composition:?C 42.11%, H 6.48%, O 51.41%Literature References:?From pods of?Sophora japonica?L.,?Leguminosae:?Rebat?,?Bull. Soc. Chim. Fr.?7,?565 (1940); Clancy,?J. Chem. Soc.?1960,?4213; Clancy in?Methods in Carbohydrate Chemistry?vol. I,?R. L. Whistler, M. L. Wolfrom, Eds. (Academic Press, New York, 1962) pp 345-349. Structure and synthesis: Coxon, Fletcher,?J. Org. Chem.?26,?2892 (1961); Koeppen,?Carbohydr. Res.?7,?410 (1968). Crystal structure: J. Ohanessian?et al.,?Acta Crystallogr.?B34,?3666 (1978).?Derivative Type:?MonohydrateProperties:?Needles from 80% aq methanol, mp 196-198?. [a]D18?+19? (c = 1.2 in water).Melting point:?mp 196-198?Optical Rotation:?[a]D18?+19? (c = 1.2 in water)?Derivative Type:?Octa-O-acetyl-b-sophoroseMolecular Formula:?C28H38O19Molecular Weight:?678.59Percent Composition:?C 49.56%, H 5.64%, O 44.80%Properties:?Needles from ethanol, mp 193-194?. [a]D18?-3.2? (c = 2.5 in chloroform).Melting point:?mp 193-194?Optical Rotation:?[a]D18?-3.2? (c = 2.5 in chloroform)COA: Product name:?Sophorose monohydrateCAS: 534-46-3????M.F.: C12H22O11.H2O? ? ? ?M.W.: 342.3? ? ? ?Quantity: 5mg from 25mg ItemsStandardsResultsAppearanceWhite crystalline powderPositiveSolubilityReadily soluble in water andinsoluble in petrolumPositiveNMR and MSShould complyCompliesIdentificationIR and TLCPositiveLoss Weight On DrynessMax. 5%CompliesAssayMin. 98%98.4%CAS Number534-46-3Product Name2-O-beta-D-Glucopyranosyl-D-glucoseIUPAC Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanalMolecular FormulaC12H22O11Molecular Weight342.3 g/molInChIInChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-/m1/s1InChI KeyPZDOWFGHCNHPQD-VNNZMYODSA-NSMILESC(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)OSolubilitySoluble in DMSOSynonyms2-O-beta-D-glucopyranosyl-alpha-D-glucose, sophoroseCanonical SMILESC(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)OIsomeric SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O