Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate
TL;DR: Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate (CAS 137067-07-3) is a chemical compound with molecular formula C43H65N4O20P3 and molecular weight 1050.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(5R)-5-[5-[(E)-3-[6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-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]oxy]acetyl]amino]hexanoylamino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Dig-11-ddutp, Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate, N0001-005227, (3beta(2R,5S),5beta,12beta)-12,14-Dihydroxy-3-(2-oxo-2-((6-oxo-6-((3-(1,2,3,4-tetrahydro-2,4-dioxo-1-(tetrahydro-5-(3,5,7,7-tetrahydroxy-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl)-5-pyrimidinyl)-2-propenyl)amino)hexyl)amino)ethoxy)card-20(22)-enolide P,P',P''-trioxide, 12,14-Dihydroxy-3-(2-oxo-2-((6-oxo-6-((3-(1,2,3,4-tetrahydro-2,4-dioxo-1-(tetrahydro-5-(3,5,7,7-tetrahydroxy-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl)-5-pyrimidinyl)-2-propenyl)amino)hexyl)amino)ethoxy)card-20(22)-enolide P,P',P''-trioxide, (3beta(2R,5S),5beta,12beta)-
| Molecular Formula | C43H65N4O20P3 |
|---|---|
| Molecular Weight | 1050.34 g/mol |
| LogP | 2.9765 |
| Topological Polar Surface Area | 358.1 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 1050.3405 |
| Heavy Atoms | 70 |
| Complexity | 2459.4922 |
Chemical Identifiers
| CAS Number | 137067-07-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)OCC(=O)NCCCCCC(=O)NC/C=C/C6=CN(C(=O)NC6=O)[C@H]7CCC(O7)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
Product Overview
Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate (CAS 137067-07-3), with molecular formula C43H65N4O20P3 and molecular weight 1050.34 g/mol. IUPAC: [[(5R)-5-[5-[(E)-3-[6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-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]oxy]acetyl]amino]hexanoylamino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate
Property Insights of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate
The XLogP value of 2.9765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate. The TPSA of 358.1 Ų indicates high polarity, suggesting Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate?
The CAS number of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate is 137067-07-3.
What is the molecular formula of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate?
The molecular formula of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate is C43H65N4O20P3.
What is the molecular weight of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate?
The molecular weight of Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate is 1050.34 g/mol.
Where can I buy Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate?
You can request a quote for Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.