CAS No.: 526-95-4 — Gluconic Acid (D-葡萄糖酸溶液)

1. Primary Information

English name:	Gluconic Acid
CAS No.:	526-95-4
Molecular formula:	C₆H₁₂O₇
Molecular weight:	196.16 g/mol
SMILES:	C(C(C(C(C(C(=O)O)O)O)O)O)O
Structural class:
Other identifiers:	boron gluconate D-gluconate D-gluconic acid dextronic acid gluconate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100ml	BR，50%	38	2-8℃	in stock	-
Kehua Intelligence	500ml	BR，50%	76	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 24 0 1 0 0 0 0 0999 V2000 1.5938 1.8140 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.6756 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.4587 0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 0.5190 1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 -2.1516 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 -1.4784 -1.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 -0.3040 0.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 1.0546 0.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3880 0.5432 -0.4935 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8996 -0.0924 0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2197 -0.2558 0.5278 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2315 -1.1138 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 -0.6692 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 1.7567 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.0476 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -0.6145 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -1.1719 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.6340 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.5857 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 2.2197 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 2.1699 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 0.8151 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -0.0565 2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -2.5785 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -1.7305 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 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 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

4.2 InChI

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1

4.3 InChIKey

RGHNJXZEOKUKBD-SQOUGZDYSA-N

4.4 Canonical SMILES

C(C(C(C(C(C(=O)O)O)O)O)O)O

4.5 Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)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)