beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil
TL;DR: beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil (CAS 133488-30-9) is a chemical compound with molecular formula C22H21N3O9 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-acetyloxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Also Known As: DiOAcPhthN-D-ribo-ddU deriv., beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil, 4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-beta-D-ribo-hexofuranosyl)-, .beta.-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil, 1-(5-O,6-O-Diacetyl-3-phthalimidyl-2,3-dideoxy-beta-D-ribo-hexofuranosyl)uracil
| Molecular Formula | C22H21N3O9 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.12778 |
| Heavy Atoms | 34 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 133488-30-9 |
|---|---|
| SMILES | CC(=O)OC[C@H]([C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C |
| InChIKey | HSIIKZKPMSXPQB-ISARSNTHSA-N |
Product Overview
beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil (CAS 133488-30-9), with molecular formula C22H21N3O9 and molecular weight 471.13 g/mol. IUPAC: [(2R)-2-acetyloxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate.
Chemical Property Profile of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil
Property Insights of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil. The TPSA of 149.0 Ų indicates high polarity, suggesting beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil?
The CAS number of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil is 133488-30-9.
What is the molecular formula of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil?
The molecular formula of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil is C22H21N3O9.
What is the molecular weight of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil?
The molecular weight of beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil is 471.13 g/mol.
Where can I buy beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil?
You can request a quote for beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil?
Yes, KEHONG BIO provides custom synthesis services for beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.