CAS No.: 85261-20-7 — N-Oxodecyl meglumine (N-癸酰基-N-甲基葡糖胺)

1. Primary Information

English name:	N-Oxodecyl meglumine
CAS No.:	85261-20-7
Molecular formula:	C₁₇H₃₅NO₆
Molecular weight:	349.5 g/mol
SMILES:	CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
Structural class:
Other identifiers:	decanoyl-N-methylglucamide MEGA-10

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	超纯，99%	280	2-8℃	in stock	-
Kehua Intelligence	1g	超纯，99%	800	2-8℃	in stock	-
Kehua Intelligence	5g	超纯，99%	3040	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 59 58 0 1 0 0 0 0 0999 V2000 4.3141 0.5164 2.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 -0.7465 -0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 3.1454 1.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 3.6192 -1.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -3.7095 -1.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 3.0768 -1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3695 -2.7248 0.0306 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 0.7835 1.0535 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3793 -0.4708 0.1564 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9557 2.0455 0.3140 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8986 -1.7021 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.8791 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7327 -1.0292 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 2.4537 -0.8717 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3547 -1.9725 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6628 0.0514 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.7810 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1045 -0.1665 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -2.8301 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0877 0.8693 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 2.7443 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 -3.6905 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5500 0.6875 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4894 1.7096 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 0.9805 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -0.2841 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9818 1.8855 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 -1.4138 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -2.1476 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 -0.8897 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 0.1019 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -1.0044 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -2.0162 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 1.6779 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 -2.9571 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -1.9567 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3156 1.0399 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6254 0.0364 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 -0.7883 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 -1.8520 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1404 -0.1408 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4366 -1.1669 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7568 1.8690 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0305 0.8512 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 1.8777 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5613 3.5965 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 -4.4616 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 -4.1754 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -3.1737 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 0.4654 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -0.9818 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6259 0.7488 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8831 -0.3174 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 3.9156 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 3.4098 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4676 1.6474 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5172 1.5321 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2074 2.7261 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 3.2539 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 50 1 0 0 0 0 2 9 1 0 0 0 0 2 51 1 0 0 0 0 3 10 1 0 0 0 0 3 54 1 0 0 0 0 4 14 1 0 0 0 0 4 55 1 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 59 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 21 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide

4.2 InChI

InChI=1S/C17H35NO6/c1-3-4-5-6-7-8-9-10-15(22)18(2)11-13(20)16(23)17(24)14(21)12-19/h13-14,16-17,19-21,23-24H,3-12H2,1-2H3/t13-,14+,16+,17+/m0/s1

4.3 InChIKey

UMWKZHPREXJQGR-XOSAIJSUSA-N

4.4 Canonical SMILES

CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O

4.5 Isomeric SMILES

CCCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)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)