![(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol structure](/static/products/1376/137606-56-5.webp)
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
TL;DR: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CAS 137606-56-5) is a chemical compound with molecular formula C25H42O12 and molecular weight 534.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Also Known As: 4-(3-Hydroxy-1-buten-1-yl)-3,5,5-trimethyl-3-cyclohexen-1-yl 6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside, 4-(3-Hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
| Molecular Formula | C25H42O12 |
|---|---|
| Molecular Weight | 534.27 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.26764 |
| Heavy Atoms | 37 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 137606-56-5 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)(C)C)C=CC(C)O |
| InChIKey | JZJSTNWTRLNQSL-KQOFVOKQSA-N |
Product Overview
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CAS 137606-56-5), with molecular formula C25H42O12 and molecular weight 534.27 g/mol. IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol.
Chemical Property Profile of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Property Insights of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
The XLogP value of -2.1 indicates that (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol has 8 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 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The CAS number of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is 137606-56-5.
What is the molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is C25H42O12.
What is the molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is 534.27 g/mol.
Where can I buy (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
You can request a quote for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.