CAS No.: 17685-04-0 — - (乙基葡萄糖醛酸)

1. Primary Information

English name:	-
CAS No.:	17685-04-0
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	ethyl beta-D-6-glucosiduronic acid ethyl glucuronide ethyl-beta-D-glucopyranosiduronic acid ethylglucuronide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	2mg	ELSD≥98%	761	-20℃ 充氮保存	in stock	-
Kehua Intelligence	2mg	ELSD≥98%	640	-20℃ 充氮保存	in stock	-
Kehua Intelligence	5mg	ELSD≥98%	1120	-20℃ 充氮保存	in stock	-
Kehua Intelligence	10mg	ELSD≥98%	1832	-20℃ 充氮保存	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 29 0 1 0 0 0 0 0999 V2000 -0.2472 -0.8664 0.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -0.1306 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 2.9452 0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 0.8811 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 2.5136 -0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 -1.8446 -0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -2.6878 0.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 1.8270 -0.1284 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6554 0.6457 0.1390 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7143 1.5082 0.2877 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0586 -0.6474 -0.4023 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1636 0.1555 -0.2653 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8258 -1.8349 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 -1.1009 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 -1.3638 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 2.1272 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 0.5631 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 1.5286 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.6844 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 0.2054 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 2.7175 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 0.9492 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 2.5098 -1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 -0.7320 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -2.0317 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -1.7241 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -0.4412 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0466 -2.1077 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 -2.6266 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 13 2 0 0 0 0 8 9 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 13 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid

4.2 InChI

InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1

4.3 InChIKey

IWJBVMJWSPZNJH-UQGZVRACSA-N

4.4 Canonical SMILES

CCOC1C(C(C(C(O1)C(=O)O)O)O)O

4.5 Isomeric SMILES

CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)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)