CAS No.: 2816-24-2 — - (邻硝基苯-β-D-吡喃葡萄糖苷)

1. Primary Information

English name:	-
CAS No.:	2816-24-2
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	2-nitrophenyl-beta-D-glucopyranoside 2-NP-beta-Glc ortho-nitrophenyl-beta-D-glucopyranoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	生物技术级，98%	48	2-8℃	in stock	-
Kehua Intelligence	5g	生物技术级，98%	104	2-8℃	in stock	-
Kehua Intelligence	25g	生物技术级，98%	448	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 37 0 1 0 0 0 0 0999 V2000 0.7685 -0.6261 0.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.2297 -0.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1791 1.6596 0.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -1.2156 0.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 2.6349 -1.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 -3.3728 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 0.4255 2.6022 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3527 1.3411 1.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 0.6937 1.7264 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1852 0.8390 -0.3424 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1817 -0.5139 0.3696 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8225 1.5237 -0.2363 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9765 -1.3523 -0.0632 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6891 0.5670 -0.6063 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8866 -2.6582 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 0.5232 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 0.2487 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 0.0815 -1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 -0.4725 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0711 -0.6396 -2.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 -0.9166 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 0.7296 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -0.3544 1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 1.9242 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 -1.6013 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 0.3210 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -2.4746 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -3.2854 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 1.1915 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -1.3681 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 2.3000 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 -2.8031 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 0.3040 -2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -0.7081 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 -0.9812 -3.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 -1.4770 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 3 29 1 0 0 0 0 4 11 1 0 0 0 0 4 30 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 15 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M CHG 2 7 -1 9 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

4.3 InChIKey

KUWPCJHYPSUOFW-RMPHRYRLSA-N

4.4 Canonical SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

4.5 Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

Coming soon

5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

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)