Nemoroside
TL;DR: Nemoroside (CAS 85802-37-5) is a chemical compound with molecular formula C25H36O12 and molecular weight 528.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
Also Known As: Nemoroside, J3.774.732G, beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-(((2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadienyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
| Molecular Formula | C25H36O12 |
|---|---|
| Molecular Weight | 528.22 g/mol |
| LogP | -1.3743 |
| Topological Polar Surface Area | 187.9 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.2207 |
| Heavy Atoms | 37 |
| Complexity | 915.3482 |
Chemical Identifiers
| CAS Number | 85802-37-5 |
|---|---|
| SMILES | C/C(=C\CO)/CC/C=C(\C)/C(=O)O[C@H]1[C@@H]2C=CO[C@H]([C@@H]2[C@@]3([C@H]1O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Nemoroside (CAS 85802-37-5), with molecular formula C25H36O12 and molecular weight 528.22 g/mol. IUPAC: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate.
Chemical Property Profile of Nemoroside
Property Insights of Nemoroside
The XLogP value of -1.3743 indicates that Nemoroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.9 Ų indicates high polarity, suggesting Nemoroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nemoroside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nemoroside?
The CAS number of Nemoroside is 85802-37-5.
What is the molecular formula of Nemoroside?
The molecular formula of Nemoroside is C25H36O12.
What is the molecular weight of Nemoroside?
The molecular weight of Nemoroside is 528.22 g/mol.
Where can I buy Nemoroside?
You can request a quote for Nemoroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nemoroside?
Yes, KEHONG BIO provides custom synthesis services for Nemoroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.