CAS No.: 2152-56-9 — D-Arabinitol (DL-阿拉伯糖醇)

1. Primary Information

English name:	D-Arabinitol
CAS No.:	2152-56-9
Molecular formula:	C₅H₁₂O₅
Molecular weight:	152.15 g/mol
SMILES:	C(C(C(C(CO)O)O)O)O
Structural class:
Other identifiers:	(+--)-arabitol arabinitol, D- arabinitol, L- arabino-pentitol arabitol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	>97%(GC)	424	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 21 0 1 0 0 0 0 0999 V2000 -0.1666 -0.6712 1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 1.7127 0.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 1.0458 -1.3276 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 -1.4305 -0.8316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 -1.2603 -0.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -0.2205 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.5349 -0.2294 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2704 0.6317 0.0262 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5934 -0.2533 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -0.0892 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.1060 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 0.8545 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 1.5324 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4644 0.3490 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -0.5405 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 0.5649 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 -0.3692 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 0.1161 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 2.2145 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 1.7141 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -1.1539 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 -1.6661 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 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 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,4R)-pentane-1,2,3,4,5-pentol

4.2 InChI

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1

4.3 InChIKey

HEBKCHPVOIAQTA-QWWZWVQMSA-N

4.4 Canonical SMILES

C(C(C(C(CO)O)O)O)O

4.5 Isomeric SMILES

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