CAS No.: 1949-88-8 — (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal (L(-)-阿卓糖)

1. Primary Information

English name:	(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CAS No.:	1949-88-8
Molecular formula:	C₆H₁₂O₆
Molecular weight:	180.16 g/mol
SMILES:	C(C(C(C(C(C=O)O)O)O)O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	99%	6960	RT	in stock	-
Kehua Intelligence	25mg	99%	2130	RT	in stock	-
Kehua Intelligence	100mg	99%	2807	RT	in stock	-
Kehua Intelligence	500mg	99%	11920	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 23 0 1 0 0 0 0 0999 V2000 0.7765 1.5830 0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -1.0808 -1.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 1.1159 -0.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 1.2319 -0.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7039 -1.4356 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.7370 -0.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 0.7143 -0.1856 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5486 -0.2635 0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9719 0.0669 -0.4698 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9045 0.3494 0.4591 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4534 -0.8741 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -0.6704 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 1.3568 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 -0.9347 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -0.4551 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 0.9280 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -1.7023 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 -0.3408 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 2.2102 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 -0.5055 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -1.3763 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 0.6985 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 1.7166 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -1.9374 -0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 24 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 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal

4.2 InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6-/m0/s1

4.3 InChIKey

GZCGUPFRVQAUEE-AZGQCCRYSA-N

4.4 Canonical SMILES

C(C(C(C(C(C=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

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)