alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
TL;DR: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate (CAS 126145-74-2) is a chemical compound with molecular formula C70H111N3O18 and molecular weight 1281.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(hexylcarbamoyl)-2-[[11-(hexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(hexylcarbamoyl)oxan-4-yl] acetate
Also Known As: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate, [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(hexylcarbamoyl)-2-[[11-(hexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(hexylcarbamoyl)oxan-4-yl] acetate
| Molecular Formula | C70H111N3O18 |
|---|---|
| Molecular Weight | 1281.79 g/mol |
| LogP | 9.9353 |
| Topological Polar Surface Area | 272.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Exact Mass | 1281.7863 |
| Heavy Atoms | 91 |
| Complexity | 2663.066 |
Chemical Identifiers
| CAS Number | 126145-74-2 |
|---|---|
| SMILES | CCCCCCNC(=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)NCCCCCC)C)C)C)C)C(=O)NCCCCCC)OC(=O)C)OC(=O)C |
Product Overview
alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate (CAS 126145-74-2), with molecular formula C70H111N3O18 and molecular weight 1281.79 g/mol. IUPAC: [2,3-diacetyloxy-5-[4,5-diacetyloxy-6-(hexylcarbamoyl)-2-[[11-(hexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxy-6-(hexylcarbamoyl)oxan-4-yl] acetate.
Chemical Property Profile of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
Property Insights of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
The XLogP value of 9.9353 indicates that alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-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-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-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-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-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-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The CAS number of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is 126145-74-2.
What is the molecular formula of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The molecular formula of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is C70H111N3O18.
What is the molecular weight of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
The molecular weight of alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate is 1281.79 g/mol.
Where can I buy alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
You can request a quote for alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-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-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(hexylamino)-11,29-dioxoolean-12-en-3-yl N-hexyl-2-O-(2,3,4-tri-O-acetyl-N-hexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.