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 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