Rehmannioside D
TL;DR: Rehmannioside D (CAS 81720-08-3) is a chemical compound with molecular formula C27H42O20 and molecular weight 686.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Rehmannioside D, 720R083, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C27H42O20 |
|---|---|
| Molecular Weight | 686.23 g/mol |
| LogP | -8.0382 |
| Topological Polar Surface Area | 327.6 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 686.2269 |
| Heavy Atoms | 47 |
| Complexity | 1106.1544 |
Chemical Identifiers
| CAS Number | 81720-08-3 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)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 |
Product Overview
Rehmannioside D (CAS 81720-08-3), with molecular formula C27H42O20 and molecular weight 686.23 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Rehmannioside D
Property Insights of Rehmannioside D
The XLogP value of -8.0382 indicates that Rehmannioside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.6 Ų indicates high polarity, suggesting Rehmannioside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rehmannioside D has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rehmannioside D?
The CAS number of Rehmannioside D is 81720-08-3.
What is the molecular formula of Rehmannioside D?
The molecular formula of Rehmannioside D is C27H42O20.
What is the molecular weight of Rehmannioside D?
The molecular weight of Rehmannioside D is 686.23 g/mol.
Where can I buy Rehmannioside D?
You can request a quote for Rehmannioside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rehmannioside D?
Yes, KEHONG BIO provides custom synthesis services for Rehmannioside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.