CAS No.: 29702-43-0 — 2-Deoxy-2-fluoro-D-glucose (2-脱氧-2-氟-D-葡萄糖)

1. Primary Information

English name:	2-Deoxy-2-fluoro-D-glucose
CAS No.:	29702-43-0
Molecular formula:	C₆H₁₁FO₅
Molecular weight:	182.15 g/mol
SMILES:	C(C(C(C(C(C=O)F)O)O)O)O
Structural class:
Other identifiers:	18F Fluorodeoxyglucose 18F-FDG 18FDG 2 Fluoro 2 deoxy D glucose 2 Fluoro 2 deoxyglucose

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	BR，98%	360	2-8℃	in stock	-
Kehua Intelligence	25mg	BR，98%	880	2-8℃	in stock	-
Kehua Intelligence	100mg	BR，98%	3040	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 1 0 0 0 0 0999 V2000 -2.0594 1.3710 0.0599 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 1.6493 -0.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -0.7351 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -1.5249 0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 -0.0832 -0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.3349 -0.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 0.3811 0.4194 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6261 -0.4783 0.1565 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9208 -0.2767 -0.0929 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9363 0.1453 0.6488 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1581 0.5873 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 -0.7008 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6954 0.5465 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -1.4517 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -0.4924 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 0.3058 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 1.5581 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 0.7378 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 2.2695 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -1.4230 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 -1.3435 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -1.6882 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0657 0.4844 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 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 17 1 0 0 0 0 11 18 1 0 0 0 0 12 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal

4.2 InChI

InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1

4.3 InChIKey

AOYNUTHNTBLRMT-SLPGGIOYSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

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