D-Glucitol,1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)- | 33210-88-7
D-Glucitol,1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-
33210-88-7
C18H22N4O7
406.38988
名称和标识符
InChIKey |
RPADDAUXKBBASM-UHFFFAOYSA-N |
Inchi |
InChI=1S/C18H22N4O7/c1-7-3-9-10(4-8(7)2)22(5-11(24)14(26)15(27)12(25)6-23)16-13(19-9)17(28)21-18(29)20-16/h3-4,11-12,14-15,23-27H,5-6H2,1-2H3,(H,21,28,29) |
SMILES |
OCC(C(C(C(CN1C2C=C(C(=CC=2N=C2C(NC(N=C12)=O)=O)C)C)O)O)O)O |
别名信息
- 英文别名 -
- D-Glucitol,1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-
- 1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxobenzo[g]pteridin-10(2H)-yl)hexitol
- D-Galactitol,1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-
- 303-60-6
- Sorboflavin
- DTXSID00949127
- 26263-31-0
- Benzo[g]pteridine-2,10H)-dione, 7,8-dimethyl-10-(D-galacto-2,3,4,5,6-pentahydroxyhexyl)-
- Galactoflavine
- NSC-3099
- Isoalloxazine,8-dimethyl-10-(D-allo-2,3,4,5,6-pentahydroxyhexyl)-
- D-Allitol,4-dihydro-7,8-dimethyl-2,4-dioxobenzo-[g]pteridin-10(2H)-yl)-
- NSC3099
- D-Glucitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-
- Benzo[g]pteridine, D-allitol deriv.
- 33210-88-7
- Isoalloxazine,8-dimethyl-10-(D-galacto-2,3,4,5,6-pentahydroxyhexyl)-
物化性质
实验特性
LogP |
-2.31430 |
PSA |
181.79000 |
折射率 |
1.734 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
密度 |
1.68 |
计算特性
精确分子量 |
406.149 |
氢键供体数量 |
6 |
氢键受体数量 |
8 |
可旋转化学键数量 |
6 |
同位素质量 |
406.149 |
重原子数量 |
29 |
复杂度 |
727 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
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) |
_2.1 |
拓扑分子极性表面积 |
175A^2 |