CAS No.: 3198-49-0 — ethyl beta-D-glucopyranoside (乙基-β-D-吡喃葡萄糖苷)

1. Primary Information

English name:	ethyl beta-D-glucopyranoside
CAS No.:	3198-49-0
Molecular formula:	C₈H₁₆O₆
Molecular weight:	208.21 g/mol
SMILES:	CCOC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	alpha-ethylglucoside ethyl glucoside ethyl glucoside hexadecanoate, (D)-isomer ethyl glucoside, (alpha-D)-isomer ethyl glucoside, (beta-D)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥95%	400	2-8℃	in stock	-
Kehua Intelligence	25mg	≥95%	640	2-8℃	in stock	-
Kehua Intelligence	100mg	≥95%	1584	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 30 0 1 0 0 0 0 0999 V2000 -0.3685 0.8435 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -0.5840 -0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 -2.3198 -0.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.2831 0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 -2.7365 0.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 3.4461 0.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -1.3480 0.1744 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9177 0.0391 -0.2623 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0306 -1.5607 -0.1593 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9570 1.1213 0.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8816 -0.3789 0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3423 2.5021 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 0.4775 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 0.2151 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -1.5057 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 0.0690 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 -1.7285 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 1.1643 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.3319 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 2.5400 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 2.7982 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 -2.1495 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 0.2658 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 -2.6078 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 0.5415 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 1.4327 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 3.1702 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1478 1.0146 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 0.1401 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8459 -0.7370 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1

4.3 InChIKey

WYUFTYLVLQZQNH-JAJWTYFOSA-N

4.4 Canonical SMILES

CCOC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

CCO[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)