![4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol structure](/static/products/1041/1041021-85-5.webp)
4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol
TL;DR: 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol (CAS 1041021-85-5) is a chemical compound with molecular formula C17H25N2O9P and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[bis(2-cyanoethoxy)phosphoryloxymethyl]-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate
Also Known As: 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol, [6-[bis(2-cyanoethoxy)phosphoryloxymethyl]-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate, 6-(((Bis(2-cyanoethoxy)phosphoryl)oxy)methyl)-2,2-dimethyltetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl acetate
| Molecular Formula | C17H25N2O9P |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 1.82226 |
| Topological Polar Surface Area | 146.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.12976 |
| Heavy Atoms | 29 |
| Complexity | 677.99756 |
Chemical Identifiers
| CAS Number | 1041021-85-5 |
|---|---|
| SMILES | CC(=O)OC1C(OC2C1OC(OC2)(C)C)COP(=O)(OCCC#N)OCCC#N |
Product Overview
4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol (CAS 1041021-85-5), with molecular formula C17H25N2O9P and molecular weight 432.13 g/mol. IUPAC: [6-[bis(2-cyanoethoxy)phosphoryloxymethyl]-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] acetate.
Chemical Property Profile of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol
Property Insights of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol
The XLogP value of 1.82226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol. The TPSA of 146.33 Ų indicates high polarity, suggesting 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol?
The CAS number of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol is 1041021-85-5.
What is the molecular formula of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol?
The molecular formula of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol is C17H25N2O9P.
What is the molecular weight of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol?
The molecular weight of 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol is 432.13 g/mol.
Where can I buy 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol?
You can request a quote for 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-[bis(2-cyanoethyl)phosphoryl]-D-glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.