CAS No.: 709-50-2 — Methyl beta-D-glucopyranoside (甲基-β-D-葡糖苷)

1. Primary Information

English name:	Methyl beta-D-glucopyranoside
CAS No.:	709-50-2
Molecular formula:	C₇H₁₄O₆
Molecular weight:	194.18 g/mol
SMILES:	COC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	1-O-methylglucose alpha-methyl-D-glucopyranoside alpha-methyl-D-glucoside alpha-methylglucose alpha-methylglucoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	BR，98%	47	RT	in stock	-
Kehua Intelligence	5g	BR，98%	188	RT	in stock	-
Kehua Intelligence	25g	BR，98%	696	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 1 0 0 0 0 0999 V2000 0.1142 -1.1030 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.8166 -0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 2.9805 0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.3070 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -1.4037 0.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -2.4027 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 1.0844 0.2225 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1699 1.7156 -0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2337 -0.3746 -0.2332 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3529 0.8305 0.1933 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1276 -0.6201 -0.2332 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4975 -1.0600 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0607 -2.7705 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 1.1542 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 1.9216 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -0.4462 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 0.8929 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 -0.7070 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -1.0741 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -0.5729 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 1.7543 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 3.5130 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 1.2615 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.8237 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -3.2193 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -2.8871 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -3.3023 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

4.2 InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

4.3 InChIKey

HOVAGTYPODGVJG-XUUWZHRGSA-N

4.4 Canonical SMILES

COC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)