CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | H2O 200 ( mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: A sample stored at 60°C for 30 days showed no decomposition as indicated by optical rotation. Solution: A 1% solution in water after 24 hours at room temperature showed no decomposition as indicated by optical rotation. |
| Optical Rotation | (c = H20) [a]20D = -22 ± 2 degrees |
COMPUTED DESCRIPTORS
| Molecular Weight | 225.20 g/mol |
|---|---|
| XLogP3 | -2.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.07495584 g/mol |
| Monoisotopic Mass | 225.07495584 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 394 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ancitabine is an organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. It has a role as a prodrug, an antimetabolite and an antineoplastic agent. It is an organic heterotricyclic compound and a diol. It is a conjugate base of an ancitabine(1+).