D-Arabinitol

• CAS: 488-82-4
• Catalog Number: ACM488824
• Category: Other Products
• Molecular Weight: 152.15
• Molecular Formula: C5H12O5
• Synonyms: D-Lyxitol
• IUPAC Name: (2R,4R)-Pentane-1,2,3,4,5-pentol
• SMILES: C(C(C(C(CO)O)O)O)O
• InChI: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
• InChI Key: HEBKCHPVOIAQTA-QWWZWVQMSA-N
• Boiling Point: 194.6 °C
• Melting Point: 101-104 °C
• Flash Point: 261.9 °C
• Density: 1.1497 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, room temperature
• Complexity: 76.1
• Exact Mass: 152.06847348
• Hazard Statements: Xn
• Isomeric SMILES: C([C@H](C([C@@H](CO)O)O)O)O
• Monoisotopic Mass: 152.06847348
• pKa: 13.24±0.20(Predicted)
• Refractive Index: 1.3960
• Safety Description: 24/25-36-26
• Solubility In Water: Soluble
• Topological Polar Surface Area: 101 Ų

Custom Q&A

What is the PubChem CID of D-arabinitol?

The PubChem CID of D-arabinitol is 94154.

What is the molecular formula of D-arabinitol?

The molecular formula of D-arabinitol is C5H12O5.

What is the molecular weight of D-arabinitol?

The molecular weight of D-arabinitol is 152.15 g/mol.

What is the IUPAC name of D-arabinitol?

The IUPAC name of D-arabinitol is (2R,4R)-pentane-1,2,3,4,5-pentol.

What is the InChI of D-arabinitol?

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

What is the InChIKey of D-arabinitol?

The InChIKey of D-arabinitol is HEBKCHPVOIAQTA-QWWZWVQMSA-N.

What is the canonical SMILES of D-arabinitol?

The canonical SMILES of D-arabinitol is C(C(C(C(CO)O)O)O)O.

What are the synonyms of D-arabinitol?

The synonyms of D-arabinitol are D-Arabitol, DL-Arabitol, and arabitol.

In which organisms can D-arabinitol be found?

D-arabinitol can be found in Salacia chinensis, Ascochyta medicaginicola, and other organisms.

What are the computed properties of D-arabinitol?

The computed properties of D-arabinitol include molecular weight (152.15 g/mol), XLogP3 (-2.5), hydrogen bond donor count (5), hydrogen bond acceptor count (5), rotatable bond count (4), exact mass (152.06847348 g/mol), monoisotopic mass (152.06847348 g/mol), topological polar surface area (101?2), and heavy atom count (10).

Synthetic Use

Upstream Synthesis Route 1

• 10323-20-3

• 488-82-4

Reference: [1]Collection of Czechoslovak Chemical Communications,1982,vol. 47,p. 2786 - 2805

Upstream Synthesis Route 2

• 1114-34-7

• 488-82-4

Reference: [1]Hricovíniová, Zuzana
[Carbohydrate Polymers, 2013, vol. 98, # 2, p. 1416 - 1421]
[2]Ruff; Ollendorff
[Chemische Berichte, 1900, vol. 33, p. 1802]
Bertrand
[Bulletin de la Societe Chimique de France, 1896, vol. <3> 15, p. 593]
[3]Nidetzky, Bernd; Brueggler, Kaspar; Kratzer, Regina; Mayr, Peter
[Journal of Agricultural and Food Chemistry, 2003, vol. 51, # 27, p. 7930 - 7935]

Downstream Synthesis Route 1

• 488-82-4
• 100-52-7

• 80924-06-7

Reference: [1]Murata, Kenji; Toba, Tetsuya; Nakanishi, Kyoko; Takahashi, Bitoku; Yamamura, Takashi; Miyake, Sachiko; Annoura, Hirokazu
[Journal of Organic Chemistry, 2005, vol. 70, # 6, p. 2398 - 2401]
[2]Urbansky, Marek; Davis, Chad E.; Surjan, Jacob D.; Coates, Robert M.
[Organic Letters, 2004, vol. 6, # 1, p. 135 - 138]
[3]Haskins et al.
[Journal of the American Chemical Society, 1943, vol. 65, p. 1663,1666]
[4]Location in patent: scheme or table
Nishii, Yoshinori; Higa, Tsuyoshi; Takahashi, Shunya; Nakata, Tadashi
[Tetrahedron Letters, 2009, vol. 50, # 26, p. 3597 - 3601]

* For details of the synthesis route, please refer to the original source to ensure accuracy.