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 Number	68636-49-7
Product Name	4-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 Formula	C18H27NO10S
Molecular Weight	449.471
InChI	InChI=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 Key	RIQWCPMDWZXHSW-DRDIBAPWSA-N
SMILES	C1=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.: C₁₈H₂₇NO₁₀SM.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)	-114^o ~ -118^o	-116.5^o
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%