Inerminoside D
TL;DR: Inerminoside D (CAS 1979-24-4) is a chemical compound with molecular formula C28H36O16 and molecular weight 628.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Also Known As: Inerminoside D, 2'-O-(5''-O-(4-Hydroxybenozyl)apiofuranosyl)mussaenosidic acid, 1-[3-[3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid, 1-{[2-o-(3,4-dihydroxy-4-{[(4-hydroxybenzoyl)oxy]methyl}tetrahydrofuran-2-yl)hexopyranosyl]oxy}-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid, 1-[3-[3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylic acid
| Molecular Formula | C28H36O16 |
|---|---|
| Molecular Weight | 628.20 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 628.2003 |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 1979-24-4 |
|---|---|
| SMILES | CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(COC(=O)C5=CC=C(C=C5)O)O)O)O |
| InChIKey | CFEHXHKHKXLAMI-UHFFFAOYSA-N |
Product Overview
Inerminoside D (CAS 1979-24-4), with molecular formula C28H36O16 and molecular weight 628.20 g/mol. IUPAC: 1-[3-[3,4-dihydroxy-4-[(4-hydroxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of Inerminoside D
Property Insights of Inerminoside D
The XLogP value of -1.9 indicates that Inerminoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting Inerminoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inerminoside D has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inerminoside D?
The CAS number of Inerminoside D is 1979-24-4.
What is the molecular formula of Inerminoside D?
The molecular formula of Inerminoside D is C28H36O16.
What is the molecular weight of Inerminoside D?
The molecular weight of Inerminoside D is 628.20 g/mol.
Where can I buy Inerminoside D?
You can request a quote for Inerminoside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inerminoside D?
Yes, KEHONG BIO provides custom synthesis services for Inerminoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.