Catalogue Number: MC238
4-Methylphenyl 1-thio-β-D-cellotrioside decaacetate
4-Methylphenyl O-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl-(1→4)-O-2,3,6-tri-O-acetyl-β-D-glucopyranosyl-(1→4)-1-thio-β-D-glucopyranoside 2,3,6-triacetate
Categories
Properties
- CAS Number
- N/A
- Molecular Formula
- C45H58O25S
- Molecular Weight
- 1030.99
- Chemical Purity
- Min. 98% [1H-NMR]
- Appearance
- White Crystalline Solid
- Melting Point
- 218-220 °C
- Solubility
- DMSO, DMF, DCM, EtOAc
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Related Products
MC255
4-Methoxyphenyl β-D-cellotrioside decaacetate
Search Terms
IUPAC Name
[(2R,3R,4S,5R,6S)-4,5-Diacetyloxy-6-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-2-(4-methylphenyl)sulfanyloxan-5-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
InChI
InChI=1S/C45H58O25S/c1-19-12-14-30(15-13-19)71-45-42(65-29(11)55)39(62-26(8)52)36(33(68-45)18-58-22(4)48)70-44-41(64-28(10)54)38(61-25(7)51)35(32(67-44)17-57-21(3)47)69-43-40(63-27(9)53)37(60-24(6)50)34(59-23(5)49)31(66-43)16-56-20(2)46/h12-15,31-45H,16-18H2,1-11H3/t31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+/m1/s1
InChI Key
QFDUSLZSSHNCQP-YBBGBJLBSA-N
Smiles
C(C)(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1COC(C)=O)SC1=CC=C(C=C1)C)OC(C)=O)OC(C)=O