Isomaltoheptaose
TL;DR: Isomaltoheptaose (CAS 6513-12-8) is a chemical compound with molecular formula C42H72O36 and molecular weight 1152.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
Also Known As: Isomaltoheptaose, D-Glucose, O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-, alpha-D-Glucopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-[alpha-D-glucopyranosyl-(1->5)]-[alpha-D-glucopyranosyl-(1->6)]-[alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->2)]-D-glucose, RefChem:149516
| Molecular Formula | C42H72O36 |
|---|---|
| Molecular Weight | 1152.38 g/mol |
| LogP | -16.4336 |
| Topological Polar Surface Area | 593.12 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 23 |
| Exact Mass | 1152.3804 |
| Heavy Atoms | 78 |
| Complexity | 1790.3074 |
Chemical Identifiers
| CAS Number | 6513-12-8 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O |
Product Overview
Isomaltoheptaose (CAS 6513-12-8), with molecular formula C42H72O36 and molecular weight 1152.38 g/mol. IUPAC: (2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal.
Chemical Property Profile of Isomaltoheptaose
Property Insights of Isomaltoheptaose
The XLogP value of -16.4336 indicates that Isomaltoheptaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 593.12 Ų indicates high polarity, suggesting Isomaltoheptaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isomaltoheptaose has 23 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isomaltoheptaose?
The CAS number of Isomaltoheptaose is 6513-12-8.
What is the molecular formula of Isomaltoheptaose?
The molecular formula of Isomaltoheptaose is C42H72O36.
What is the molecular weight of Isomaltoheptaose?
The molecular weight of Isomaltoheptaose is 1152.38 g/mol.
Where can I buy Isomaltoheptaose?
You can request a quote for Isomaltoheptaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomaltoheptaose?
Yes, KEHONG BIO provides custom synthesis services for Isomaltoheptaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.