6H-嘌呤-6-酮,2-氨基-9-(2,3-二脱氧-3-氟-b-D-苏氨酸-戊呋喃糖基)-1,9-二氢- | 125291-17-0
6H-嘌呤-6-酮,2-氨基-9-(2,3-二脱氧-3-氟-b-D-苏氨酸-戊呋喃糖基)-1,9-二氢-
6H-Purin-6-one,2-amino-9-(2,3-dideoxy-3-fluoro-b-D-threo-pentofuranosyl)-1,9-dihydro-
125291-17-0
C10H12N5O3F
269.23238
名称和标识符
InChIKey |
RTJUXLYUUDBAJN-UHFFFAOYSA-N |
Inchi |
InChI=1S/C10H12FN5O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,(H3,12,14,15,18) |
SMILES |
OCC1C(F)CC(N2C=NC3C(N=C(NC2=3)N)=O)O1 |
别名信息
- 英文别名 -
- 6H-Purin-6-one,2-amino-9-(2,3-dideoxy-3-fluoro-b-D-threo-pentofuranosyl)-1,9-dihydro-
- 2'-Deoxy-2'-fluoro-D-guanosine
- 2'-fluoro-2',3'-dideoxyguanosine
- 9-(2-Fluoro-2-deoxy-β-D-ribofuranosyl)-guanine
- 6H-Purin-6-one, 2-amino-9-(2,3-dideoxy-3-fluoro-.beta.-D-threo-pentofuranosyl)-1,9-dihydro-
- 9-(2,3-Dideoxy-3-fluoropentofuranosyl)-2-imino-3,9-dihydro-2H-purin-6-ol
- 2-Amino-9-(2,3-dideoxy-3-fluoro-beta-D-threo-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
- DTXSID50925072
- 2-Amino-9-((2R,4R,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
- 2-amino-9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
- 2'-beta-fluoro-2',3'-dideoxyguanosine
- W-204074
- 2'-beta-F-Ddguo
- 9-(2,3-Dideoxy-3-fluoro-.beta.-D-xylofuranosyl)guanine
- 2'-Fluoro-2',3'-dideoxyguanosine
- ddFXG
- 2'beta-Fluoro-2',3'-dideoxyguanosine
- 2-amino-9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
- 2-amino-9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
- 125291-17-0
物化性质
实验特性
LogP |
-1.12830 |
PSA |
139.28000 |
折射率 |
1.834 |
沸点 |
633.5 °C at 760 mmHg |
闪点 |
336.9 °C |
密度 |
2.01 |
计算特性
精确分子量 |
285.08700 |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
269.092417 |
重原子数量 |
19 |
复杂度 |
420 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
_0.7 |
拓扑分子极性表面积 |
115 |
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6H-嘌呤-6-酮,2-氨基-9-(2,3-二脱氧-3-氟-b-D-苏氨酸-戊呋喃糖基)-1,9-二氢-推荐生产厂家