CAS No.: 59122-55-3 — Dodecyl beta-D-glucopyranoside (十二烷基吡喃葡萄糖苷)

1. Primary Information

English name:	Dodecyl beta-D-glucopyranoside
CAS No.:	59122-55-3
Molecular formula:	C₁₈H₃₆O₆
Molecular weight:	348.5 g/mol
SMILES:	CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	dodecyl glucopyranoside dodecyl glucoside dodecyl-beta-D-glucopyranoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	超纯，99%	115	2-8℃	in stock	-
Kehua Intelligence	500mg	超纯，99%	345	2-8℃	in stock	-
Kehua Intelligence	1g	超纯，99%	633	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 60 60 0 1 0 0 0 0 0999 V2000 -4.3099 0.8234 0.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 -0.8721 0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3819 -1.9023 0.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8946 0.8392 -0.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 -2.7162 -0.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 3.5242 -0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4057 -1.0494 -0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6895 0.3838 0.1992 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0076 -1.4968 0.1761 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5401 1.3145 -0.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9536 -0.4515 -0.1888 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7459 2.7261 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6099 -0.2416 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.7124 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -0.0777 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -0.5867 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 0.0380 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -0.4533 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 0.1805 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3721 -0.3348 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5851 0.3780 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9184 -0.0765 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1308 0.6523 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4306 0.1114 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5360 -1.1517 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8437 0.4055 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9832 -1.7064 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 1.3806 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8587 -0.3868 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 3.1763 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7819 2.7233 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 -0.4954 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 0.8464 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -1.8060 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -0.4795 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -0.3094 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 1.0133 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 -1.6772 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 -0.3753 1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 -0.1845 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 1.1293 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.5432 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 -0.2411 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 0.0245 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 1.2658 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2799 -1.8466 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7635 0.8368 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 -2.5515 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -1.4114 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 -0.2085 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 1.4593 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6006 0.2091 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8932 0.0765 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0307 -1.1556 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7938 4.4160 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0558 1.7248 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1457 0.5368 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5486 -0.9528 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2851 0.6467 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4590 0.2355 1.3330 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 46 1 0 0 0 0 4 8 1 0 0 0 0 4 47 1 0 0 0 0 5 9 1 0 0 0 0 5 48 1 0 0 0 0 6 12 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1

4.3 InChIKey

PYIDGJJWBIBVIA-UYTYNIKBSA-N

4.4 Canonical SMILES

CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

CCCCCCCCCCCCO[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)