534-46-3 , 槐糖,
Sophorose,
CAS:534-46-3
C12H22O11.H2O / 342.3
MFCD00150664
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 Number | 534-46-3 |
Product Name | 2-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 Formula | C12H22O11 |
Molecular Weight | 342.3 g/mol |
InChI | InChI=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 Key | PZDOWFGHCNHPQD-VNNZMYODSA-N |
SMILES | C(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)O |
Solubility | Soluble in DMSO |
Synonyms | 2-O-beta-D-glucopyranosyl-alpha-D-glucose, sophorose |
Canonical SMILES | C(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)O)O)O)O)O |
Isomeric SMILES | C([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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