(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile
TL;DR: (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile (CAS 54525-10-9) is a chemical compound with molecular formula C11H17NO7 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Also Known As: Cardiospermin, (2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile, 2-(Hexopyranosyloxy)-3-(hydroxymethyl)but-3-enenitrile, (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile, (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)but-3-enenitrile
| Molecular Formula | C11H17NO7 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1005 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 54525-10-9 |
|---|---|
| SMILES | C=C(CO)[C@@H](C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | MQTLCYHUTVTHFO-MPVQUNCYSA-N |
Product Overview
(2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile (CAS 54525-10-9), with molecular formula C11H17NO7 and molecular weight 275.10 g/mol. IUPAC: (2S)-3-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile.
Chemical Property Profile of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile
Property Insights of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile
The XLogP value of -2.0 indicates that (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile?
The CAS number of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile is 54525-10-9.
What is the molecular formula of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile?
The molecular formula of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile is C11H17NO7.
What is the molecular weight of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile?
The molecular weight of (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile is 275.10 g/mol.
Where can I buy (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile?
You can request a quote for (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(beta-D-Glucopyranosyloxy)-3-(hydroxymethyl)-3-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.