CAS No.: 921-62-0 — - (6-磷酸葡萄糖钡盐)

1. Primary Information

English name:	-
CAS No.:	921-62-0
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	6-phospho-D-gluconic acid 6-phosphogluconate 6-phosphogluconic acid gluconate 6-phosphate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	BR，90%	320	-20℃	in stock	-
Kehua Intelligence	100mg	BR，90%	600	-20℃	in stock	-
Kehua Intelligence	500mg	BR，90%	1600	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 29 0 1 0 0 0 0 0999 V2000 3.3804 0.8818 0.1375 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -1.6093 1.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 -0.3258 1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 -2.7046 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -0.2990 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 -1.1189 -0.6925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 2.3856 -0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4545 1.2054 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2351 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 0.7793 -1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 0.8193 1.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 -1.4945 0.4425 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3508 -0.2212 0.5965 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3574 -1.4848 -0.8501 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3615 0.0218 -0.5405 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3310 -0.3080 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 1.2380 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -2.3834 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 0.6574 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -1.4705 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 0.1766 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 0.6429 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 -0.4054 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 -2.4596 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -0.4688 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -2.6735 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -0.9876 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 3.1657 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 3.1021 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.3411 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 12 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 8 17 2 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

4.3 InChIKey

BIRSGZKFKXLSJQ-SQOUGZDYSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

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