Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Troxacitabine |
EINECS | 200-258-5 |
CAS No. | 145918-75-8 | Density | 1.71g/cm3 |
PSA | 99.60000 | LogP | -0.72950 |
Solubility | N/A | Melting Point |
176-177° |
Formula | C8H11N3O4 | Boiling Point | 422.5 °C at 760 mmHg |
Molecular Weight | 213.193 | Flash Point | 209.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2(1H)-Pyrimidinone,4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-, (2S-cis)-;(-)-BCH 204;(-)-OccC;BCH 4556;L-OddC;SPD 758;Troxacitabine;Troxatyl; |
Article Data | 7 |
The Troxacitabine is an organic compound with the formula C8H11N3O4. The IUPAC name of this chemical is 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one. With the CAS registry number 145918-75-8, it is also named as . The product's categories are 2(1H)-Pyrimidinone, 4-amino-1-((2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)-. Besides, Its use is being studied in patients with refractory lymphoproliferative diseases.
Physical properties about Troxacitabine are: (1)#H bond acceptors: 7; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 63.6 Å2; (5)Index of Refraction: 1.694; (6) Molar Refractivity: 47.71 cm3; (7)Molar Volume: 124.2 cm3; (8)Polarizability: 18.91×10-24cm3; (9)Surface Tension: 74 dyne/cm; (10)Density: 1.71 g/cm3; (11)Flash Point: 209.3 °C; (12)Enthalpy of Vaporization: 78.15 kJ/mol; (13)Boiling Point: 422.5 °C at 760 mmHg; (14)Vapour Pressure: 6.59E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@H]2O[C@H](OC2)CO
(2)InChI: InChI=1/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
(3)InChIKey: RXRGZNYSEHTMHC-BQBZGAKWBT
(4)Std. InChI: InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
(5)Std. InChIKey: RXRGZNYSEHTMHC-BQBZGAKWSA-N