Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) (CAS 171039-00-2) — formula C8H14N3O13P3, molecular weight 453.13; category organic chemicals.
| CAS Number | 171039-00-2 |
|---|---|
| Molecular Formula | C8H14N3O13P3 |
| Molecular Weight | 453.13 |
| LogP | -5.3 |
| Category | Organic Chemicals |
Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) is a carbon-based organic compound with CAS registry number 171039-00-2 and molecular formula C8H14N3O13P3 (molecular weight 453.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 171039-00-2
Its molecular formula C8H14N3O13P3 comprises 8 C, 14 H, 3 N, 13 O, 3 P atoms.
Also known as: Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) · 三磷酸，P-[[(1S,4R)-4-(2-氨基-1,6-二氢-6-氧代-9H-嘌呤-9-基)-2-环戊烯-1-基]甲基]酯(9CI)
Category: organic chemicals
The CAS registry number of Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) is 171039-00-2.
Molecular formula C8H14N3O13P3, molecular weight 453.13.
It is also registered under: Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI), 三磷酸，P-[[(1S,4R)-4-(2-氨基-1,6-二氢-6-氧代-9H-嘌呤-9-基)-2-环戊烯-1-基]甲基]酯(9CI).
Category: Organic Chemicals.
Independent reference data for Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) (CAS 171039-00-2), compiled from public chemistry databases.
| CAS Registry Number | 171039-00-2 |
|---|---|
| PubChem CID | 503022 |
| Molecular formula | C8H14N3O13P3 |
| IUPAC name | [[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| UNII (FDA) | 4YF9V91KCR |
| Molecular Weight | 453.13 |
|---|---|
| XLogP3 | -5.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 452.97394850 |
| Monoisotopic Mass | 452.97394850 |
| Topological Polar Surface Area | 237 |
| Heavy Atom Count | 27 |
Troxacitabine triphosphate; 4YF9V91KCR; L-OddCTP; UNII-4YF9V91KCR; 171039-00-2; Triphosphoric acid, P-(((2S,4S)-4-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-dioxolan-2-yl)methyl) ester; HY-156998; CS-0905874; Phosphoric acid tri-[(2S,4S)-4-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]dioxolan-2-ylmethyl] ester
Triphosphoric acid,P-[[(1S,4R)-4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl]ester (9CI) · CAS 171039-00-2 · C8H14N3O13P3. UNII 4YF9V91KCR.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三磷酸，P-[[(1S,4R)-4-(2-氨基-1,6-二氢-6-氧代-9H-嘌呤-9-基)-2-环戊烯-1-基]甲基]酯(9CI)