Duphalac
TL;DR: Duphalac (CAS 6343-52-8) is a chemical compound with molecular formula C30H56O28 and molecular weight 864.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;(3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
Also Known As: Duphalac, KST-1A6935, (2r,3s,4s,5r)-2,3,4,5,6-pentahydroxyhexanal;(2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal;(3s,4r,5r)-1,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexan-2-one, D-Glucose, 4-O-beta-D-galactopyranosyl-, mixt. with 4-O-beta-D-galactopyranosyl-D-fructose and D-galactose, (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal; (3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
| Molecular Formula | C30H56O28 |
|---|---|
| Molecular Weight | 864.30 g/mol |
| LogP | -14.4864 |
| Topological Polar Surface Area | 513.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 21 |
| Exact Mass | 864.29584 |
| Heavy Atoms | 58 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 6343-52-8 |
|---|---|
| SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H](C(=O)CO)O)O)O)O)O.C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O |
| InChIKey | OGOWHPKNRVAOMG-GACXZIFISA-N |
Product Overview
Duphalac (CAS 6343-52-8), with molecular formula C30H56O28 and molecular weight 864.30 g/mol. IUPAC: (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;(3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one.
Chemical Property Profile of Duphalac
Property Insights of Duphalac
The XLogP value of -14.4864 indicates that Duphalac is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 513.0 Ų indicates high polarity, suggesting Duphalac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Duphalac has 21 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duphalac?
The CAS number of Duphalac is 6343-52-8.
What is the molecular formula of Duphalac?
The molecular formula of Duphalac is C30H56O28.
What is the molecular weight of Duphalac?
The molecular weight of Duphalac is 864.30 g/mol.
Where can I buy Duphalac?
You can request a quote for Duphalac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duphalac?
Yes, KEHONG BIO provides custom synthesis services for Duphalac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.