CAS No.: 2646-35-7 — Sedoheptulose 7-phosphate (D-Sedoheptulose-7-phosphate barium salt)

1. Primary Information

English name:	Sedoheptulose 7-phosphate
CAS No.:	2646-35-7
Molecular formula:	C₇H₁₅O₁₀P
Molecular weight:	290.16 g/mol
SMILES:	C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O
Structural class:
Other identifiers:	D-altro-2-heptulose, 7-(dihydrogen phosphate) heptulose-7-phosphate sedoheptulose 7-phosphate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	95%	1600	-20℃	in stock	-
Kehua Intelligence	5mg	95%	6400	-20℃	in stock	-
Kehua Intelligence	10mg	95%	11200	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 32 0 1 0 0 0 0 0999 V2000 4.1633 -0.9666 0.0519 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 1.8622 -1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 0.2066 1.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 2.6125 0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 1.7551 0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 0.2283 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 -0.4553 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 -2.9236 -0.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 -0.9410 -1.5649 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 -2.2892 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 -0.9036 0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.6163 -0.1029 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2933 0.4237 0.1744 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0755 1.4417 0.4459 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7116 0.6069 -0.3951 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8474 0.2321 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -0.5814 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 -1.9246 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 2.5249 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.4784 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 1.4234 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 0.7277 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.2848 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -0.6968 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 2.2677 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 1.0536 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 2.5262 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 1.6521 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 -2.2183 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 -1.8560 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0565 -3.0268 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 -1.5516 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -3.1682 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 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 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 18 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(2R,3R,4R,5S)-2,3,4,5,7-pentahydroxy-6-oxoheptyl] dihydrogen phosphate

4.2 InChI

InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1

4.3 InChIKey

JDTUMPKOJBQPKX-GBNDHIKLSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

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

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)