Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester
TL;DR: Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester (CAS 81176-34-3) is a chemical compound with molecular formula C32H49NO9 and molecular weight 591.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2,3,4,5-tetrahydroxyhexylideneamino)propanoate
Also Known As: Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester, Digitoxigenin-3-beta-N-L-(6-deoxy-L-mannosyl)alanyl ester, Alanine, N-(6-deoxy-L-mannosyl)-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, L-, Digitoxigenin 3beta-N-D-(6-deoxy-L-mannosyl)alanyl ester, Alanine, N-(6-deoxy-L-mannosyl)-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-
| Molecular Formula | C32H49NO9 |
|---|---|
| Molecular Weight | 591.34 g/mol |
| LogP | 2.078 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 591.34076 |
| Heavy Atoms | 42 |
| Complexity | 1107.5444 |
Chemical Identifiers
| CAS Number | 81176-34-3 |
|---|---|
| SMILES | CC(C(C(C(C=NC(C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C)O)O)O)O |
Product Overview
Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester (CAS 81176-34-3), with molecular formula C32H49NO9 and molecular weight 591.34 g/mol. IUPAC: [14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(2,3,4,5-tetrahydroxyhexylideneamino)propanoate.
Chemical Property Profile of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester
Property Insights of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester
The XLogP value of 2.078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester. The TPSA of 166.11 Ų indicates high polarity, suggesting Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester?
The CAS number of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester is 81176-34-3.
What is the molecular formula of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester?
The molecular formula of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester is C32H49NO9.
What is the molecular weight of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester?
The molecular weight of Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester is 591.34 g/mol.
Where can I buy Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester?
You can request a quote for Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-3-beta-N-D-(6-deoxy-L-mannosyl)alanyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.