Cyclohexapentylose

• CAS: 10016-20-3
• Catalog Number: ACM10016203
• Category: Other Products
• Molecular Weight: 972.8
• Molecular Formula: C36H60O30
• Synonyms: Cyclohexaamylose carbonate
• Canonical SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O
• InChI: InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
• InChI Key: HFHDHCJBZVLPGP-RWMJIURBSA-N
• Melting Point: >278 °C
• Appearance: powder
• Complexity: 1250
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 30
• Exact Mass: 972.31694049
• Hazard Statements: Xi
• Heavy Atom Count: 66
• Hydrogen Bond Acceptor Count: 30
• Hydrogen Bond Donor Count: 18
• Isomeric SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
• Monoisotopic Mass: 972.31694049
• Physical State: Powder
• Rotatable Bond Count: 6
• Safety Description: 26-36
• Topological Polar Surface Area: 475 Ų

Custom Q&A

What is the molecular formula of Cyclohexapentylose?

The molecular formula of Cyclohexapentylose is C36H60O30.

What is the molecular weight of Cyclohexapentylose?

The molecular weight of Cyclohexapentylose is 972.8 g/mol.

What are some other synonyms for Cyclohexapentylose?

Some synonyms for Cyclohexapentylose include alpha-CYCLODEXTRIN, Alfadex, and Cyclomaltohexaose.

What is the IUPAC name of Cyclohexapentylose?

The IUPAC name of Cyclohexapentylose is (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2 3,6 .2 8,11 .2 13,16 .2 18,21 .2 23,26 ]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol.

What is the InChIKey of Cyclohexapentylose?

The InChIKey of Cyclohexapentylose is HFHDHCJBZVLPGP-RWMJIURBSA-N.

What is the canonical SMILES representation of Cyclohexapentylose?

The canonical SMILES of Cyclohexapentylose is C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)CO)O)O)O.

What is the CAS number of Cyclohexapentylose?

The CAS number of Cyclohexapentylose is 10016-20-3.

What is the EC number of Cyclohexapentylose?

The EC number of Cyclohexapentylose is 233-007-4.

What is the ChEMBL ID of Cyclohexapentylose?

The ChEMBL ID of Cyclohexapentylose is CHEMBL1230813.

What is the Wikipedia page for Cyclohexapentylose?

The Wikipedia page for Cyclohexapentylose is "Alpha-Cyclodextrin".

Synthetic Use

Downstream Synthesis Route 1

• 134-03-2
• 10016-20-3

• 129499-78-1

Reference: [1] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 92, p. 19 - 23

Downstream Synthesis Route 2

• 58-05-9
• 10016-20-3

• 59-30-3

Reference: [1] Patent: EP427078, 1991, A1,

Downstream Synthesis Route 3

• 10016-20-3
• 50-81-7

• 129499-78-1

Reference: [1] Agricultural and Biological Chemistry, 1991, vol. 55, # 7, p. 1751 - 1756
[2] ACS Catalysis, 2016, vol. 6, # 3, p. 1606 - 1615

Downstream Synthesis Route 4

• 98-59-9
• 10016-20-3

• 32860-56-3

Reference: [1]Lai, Colin S. I.; Moody, Gwilym J.; Thomas, J. D. Ronald; Mulligan, David C.; Stoddart, J. Fraser; Zarzycki, Ryszard
[Journal of the Chemical Society. Perkin transactions II, 1988, p. 319 - 324]
[2]Ashton; Boyd; Gattuso; Hartwell; Koniger; Spencer; Stoddart
[Journal of Organic Chemistry, 1995, vol. 60, # 12, p. 3898 - 3903]
[3]Location in patent: experimental part
Nagata, Takuya; Yoshikiyo, Keisuke; Matsui, Yoshihisa; Yamamoto, Tatsuyuki
[Bulletin of the Chemical Society of Japan, 2009, vol. 82, # 2, p. 196 - 201]

Downstream Synthesis Route 5

• 10016-20-3
• 50-81-7

• 129499-78-1

Reference: [1]Current Patent Assignee: STATE UNIVERSITY SYSTEM OF FLORIDA - WO2016/126910, 2016, A1
Location in patent: Page/Page column 29

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