aGRR
TL;DR: aGRR (CAS 121333-93-5) is a chemical compound with molecular formula C26H46O14 and molecular weight 582.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
Also Known As: aGRR, Allyl-Me-glup-Me-rhap-rhap, Allyl 2-O-(4-O-(3,6-di-O-methyl-beta-glucopyranosyl)-2,3-di-O-methyl-alpha-rhamnopyranosyl)-3-O-methyl-alpha-rhamnopyranoside, (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol, Prop-2-en-1-yl 3,6-di-O-methyl-beta-D-glucopyranosyl-(1->4)-6-deoxy-2,3-di-O-methyl-alpha-D-mannopyranosyl-(1->2)-6-deoxy-3-O-methyl-alpha-D-mannopyranoside
| Molecular Formula | C26H46O14 |
|---|---|
| Molecular Weight | 582.29 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 582.28876 |
| Heavy Atoms | 40 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 121333-93-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC=C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC)O)OC)O)OC)OC)OC)O |
| InChIKey | BJVUBCLPWZCCLN-NNOVPTTRSA-N |
Product Overview
aGRR (CAS 121333-93-5), with molecular formula C26H46O14 and molecular weight 582.29 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol.
Chemical Property Profile of aGRR
Property Insights of aGRR
The XLogP value of -1.5 indicates that aGRR is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting aGRR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aGRR has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of aGRR?
The CAS number of aGRR is 121333-93-5.
What is the molecular formula of aGRR?
The molecular formula of aGRR is C26H46O14.
What is the molecular weight of aGRR?
The molecular weight of aGRR is 582.29 g/mol.
Where can I buy aGRR?
You can request a quote for aGRR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aGRR?
Yes, KEHONG BIO provides custom synthesis services for aGRR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.