alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
TL;DR: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate (CAS 126164-75-8) is a chemical compound with molecular formula C79H129N3O18 and molecular weight 1407.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-11-(nonylcarbamoyl)-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(nonylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(nonylcarbamoyl)oxan-4-yl] acetate
Also Known As: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate, [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-11-(nonylcarbamoyl)-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(nonylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(nonylcarbamoyl)oxan-4-yl] acetate
| Molecular Formula | C79H129N3O18 |
|---|---|
| Molecular Weight | 1407.93 g/mol |
| LogP | 13.4462 |
| Topological Polar Surface Area | 272.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 36 |
| Exact Mass | 1407.9271 |
| Heavy Atoms | 100 |
| Complexity | 2827.1846 |
Chemical Identifiers
| CAS Number | 126164-75-8 |
|---|---|
| SMILES | CCCCCCCCCNC(=O)C1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)NCCCCCCCCC)C)C)C)C)C(=O)NCCCCCCCCC)OC(=O)C)OC(=O)C |
Product Overview
alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate (CAS 126164-75-8), with molecular formula C79H129N3O18 and molecular weight 1407.93 g/mol. IUPAC: [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-11-(nonylcarbamoyl)-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(nonylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(nonylcarbamoyl)oxan-4-yl] acetate.
Chemical Property Profile of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
Property Insights of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
The XLogP value of 13.4462 indicates that alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 272.79 Ų indicates high polarity, suggesting alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate has 3 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 alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The CAS number of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is 126164-75-8.
What is the molecular formula of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The molecular formula of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is C79H129N3O18.
What is the molecular weight of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The molecular weight of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is 1407.93 g/mol.
Where can I buy alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
You can request a quote for alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.