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68636-49-7, 4-Aminophenyl b-D-thiocellobiose, CAS:68636-49-7

68636-49-7,4-Aminophenyl b-D-thiocellobiose,
CAS:68636-49-7
C18H27NO10S / 449.471
MFCD09750871

4-Aminophenyl b-D-thiocellobiose

4-氨基苯基-b-硫代纤维二糖苷,

CAS Number68636-49-7
Product Name4-Aminophenyl b-D-thiocellobiose
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC18H27NO10S
Molecular Weight449.471
InChIInChI=1S/C18H27NO10S/c19-7-1-3-8(4-2-7)30-18-15(26)13(24)16(10(6-21)28-18)29-17-14(25)12(23)11(22)9(5-20)27-17/h1-4,9-18,20-26H,5-6,19H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18?/m1/s1
InChI KeyRIQWCPMDWZXHSW-DRDIBAPWSA-N
SMILESC1=CC(=CC=C1N)SC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
Synonyms(4-Aminophenyl)methyl 4-O-β-D-glucopyranosyl-1-thio-β-D-glucopyranoside
CAS No: 68636-49-7 Synonyms: APTC MDL No: MFCD09750871 Chemical Formula: C18H27NO10S Molecular Weight: 449.47
References: 1. Piyachomkwan K, et al., Carbohydr. Res. 1997, 303, p255

COA:

Product name: 4-Aminophenyl beta-D-thiocellobiose* 

CAS: 68636-49-7           M.F.: C18H27NO10S        M.W.449.47

Items

Standards

Results

Appearance

Pale yellow powder

Complies

Solubility

Easily soluble in water,

insoluble ether

Complies

Identification

IR and HPLC

Complies

Melting point

200 ~  210 °C

208 ~ 208

Specific rotation

( [α]27/D, c = 0.5 in H2O)

-114o ~  -118o

-116.5o

Water content

Max. 2%

0.4%

Total impurity

Max. 2%

Complies

Heavy metal

Max. 20ppm

Complies

Residue on ignition

Max. 0.5%

0.1%

TLC

One spot

One spot

Assay by HPLC

Min. 98%

98.7%

*a functional affinity ligand for the separation of exo-(cellobiohydrolases) and endo-(endoglucanases) acting cellulases.

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