8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside
TL;DR: 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside (CAS 106445-30-1) is a chemical compound with molecular formula C51H58N2O18 and molecular weight 986.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-[5-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-3-(1,3-dioxoisoindol-2-yl)-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxynonanoate
Also Known As: 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside, 8-Methoxycarbonyloctyl-2-deoxy-2-phthalimido-3-O-benzyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-phthalimido-b-D-glucopyranosyl)-b-D-glucopyranoside, 8-Methoxycarbonyloctyl-2-deoxy-2-phthalimido-3-O-benzyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-phthalimido- beta -D-glucopyranosyl)- beta -D-glucopy, 8-Methoxycarbonyloctyl-2-deoxy-2-phthalimido-3-O-benzyl-4-O-(3',4',6'-tri-O-acetyl-2'-deoxy-2'-phthalimido-beta-D-glucopyranosyl)-beta-D-glucopy, methyl 9-[5-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-3-(1,3-dioxoisoindol-2-yl)-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxynonanoate
| Molecular Formula | C51H58N2O18 |
|---|---|
| Molecular Weight | 986.37 g/mol |
| LogP | 4.0755 |
| Topological Polar Surface Area | 246.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Exact Mass | 986.36847 |
| Heavy Atoms | 71 |
| Complexity | 2360.3474 |
Chemical Identifiers
| CAS Number | 106445-30-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)OCCCCCCCCC(=O)OC)CO)N6C(=O)C7=CC=CC=C7C6=O)OC(=O)C)OC(=O)C |
Product Overview
8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside (CAS 106445-30-1), with molecular formula C51H58N2O18 and molecular weight 986.37 g/mol. IUPAC: methyl 9-[5-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-3-(1,3-dioxoisoindol-2-yl)-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxynonanoate.
Chemical Property Profile of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside
Property Insights of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside
The XLogP value of 4.0755 indicates that 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.34 Ų indicates high polarity, suggesting 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside?
The CAS number of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside is 106445-30-1.
What is the molecular formula of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside?
The molecular formula of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside is C51H58N2O18.
What is the molecular weight of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside?
The molecular weight of 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside is 986.37 g/mol.
Where can I buy 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside?
You can request a quote for 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxycarbonyloctyl4-O-(3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-glucopyranosyl)-2-deoxy-3-O-benzyl-2-phthalimido-b-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.