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534-46-3, Sophorose monohydrate, CAS:534-46-3

534-46-3, Sophorose monohydrate,
CAS:534-46-3
C12H22O11.H2O / 342.3
MFCD00150664

槐糖, Sophorose

Sophorose is an inducer for gene expression in Trichoderma reesei.

Title: Sophorose

CAS Registry Number: 534-46-3

CAS Name: 2-O-b-D-Glucopyranosyl-a-D-glucose

Molecular Formula: C12H22O11

Molecular Weight: 342.30

Percent Composition: C 42.11%, H 6.48%, O 51.41%

Literature References: From pods of Sophora japonica L., Leguminosae: Rebaté, 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: Monohydrate

Properties: 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-sophorose

Molecular Formula: C28H38O19

Molecular Weight: 678.59

Percent 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 monohydrate

CAS: 534-46-3    M.F.: C12H22O11.H2O       M.W.: 342.3       Quantity: 5mg from 25mg


Items

Standards

Results

Appearance

White crystalline powder

Positive

Solubility

Readily soluble in water and

insoluble in petrolum

Positive

NMR and MS

Should comply

Complies

Identification

IR and TLC

Positive

Loss Weight On Dryness

Max. 5%

Complies

Assay

Min. 98%

98.4%

CAS Number534-46-3
Product Name2-O-beta-D-Glucopyranosyl-D-glucose
IUPAC 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]oxyhexanal
Molecular FormulaC12H22O11
Molecular Weight342.3 g/mol
InChIInChI=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/s1
InChI KeyPZDOWFGHCNHPQD-VNNZMYODSA-N
SMILESC(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)O
SolubilitySoluble in DMSO
Synonyms2-O-beta-D-glucopyranosyl-alpha-D-glucose, sophorose
Canonical SMILESC(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)O
Isomeric 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


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