Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-
TL;DR: Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- (CAS 82083-98-5) is a chemical compound with molecular formula C19H25NO11 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile
Also Known As: Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-, (3-Hydroxyphenyl)[(6-O-pentopyranosylhexopyranosyl)oxy]acetonitrile, 2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile, Benzeneacetonitrile,3-hydroxy-a-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (aS)- (9CI)
| Molecular Formula | C19H25NO11 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.14276 |
| Heavy Atoms | 31 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 82083-98-5 |
|---|---|
| SMILES | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC(=CC=C3)O)O)O)O)O)O)O |
| InChIKey | KVKFUQZWWCGWAN-UHFFFAOYSA-N |
Product Overview
Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- (CAS 82083-98-5), with molecular formula C19H25NO11 and molecular weight 443.14 g/mol. IUPAC: 2-(3-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-
Property Insights of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-
The XLogP value of -3.0 indicates that Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- has 7 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 Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-?
The CAS number of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- is 82083-98-5.
What is the molecular formula of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-?
The molecular formula of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- is C19H25NO11.
What is the molecular weight of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-?
The molecular weight of Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- is 443.14 g/mol.
Where can I buy Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-?
You can request a quote for Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 3-hydroxy-alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, (alphaS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.