InChIKey | AAWZDTNXLSGCEK-LNVDRNJUSA-N |
Inchi | 1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 |
SMILES | O([H])C1(C(=O)O[H])C([H])([H])[C@]([H])(C([H])([C@@]([H])(C1([H])[H])O[H])O[H])O[H] |
LogP | -2.32140 |
PSA | 118.22000 |
Merck | 8059 |
折射率 | -43.5 ° (C=10, H2O) |
水溶性 | 400 g/l (20 ºC) |
沸点 | 248.13°C (rough estimate) |
熔点 | 166-168 ºC |
溶解度 | 290g/l (experimental) |
颜色与性状 | Powder |
PH值 | 2.0 (10g/l, H2O, 20℃) |
比旋光度 | -44 º (c=11.2, H2O) |
光学活性 | [α]20/D −43.9°, c = 11.2 in H2O |
密度 | 1.64 g/cm3 (20℃) |
精确分子量 | 192.06300 |
氢键供体数量 | 5 |
氢键受体数量 | 6 |
可旋转化学键数量 | 1 |
同位素质量 | 192.06338810 g/mol |
重原子数量 | 13 |
复杂度 | 203 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 2 |
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) | -2.4 |
拓扑分子极性表面积 | 118 |
分子量 | 192.17 |
EINECS | 59258 |
MDL | MFCD00003864 |
海关编码 | 29181980 |
海关数据 |
中国海关编码:29181980 |
1.
Synthesis, crystal structures and reactivity of rhodium(III) complexes containing β-ketophosphine and phosphino enolate ligands
Pierre Braunstein,Yves Chauvin,Jens N?hring,André DeCian,Jean Fischer J. Chem. Soc. Dalton Trans. 1995 863
2.
Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru–Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4
Mirza Cokoja,Christian Gemel,Tobias Steinke,Felicitas Schr?der,Roland A. Fischer Dalton Trans. 2005 44
3.
Botanical characteristics, phytochemistry and related biological activities of Rosa roxburghii Tratt fruit, and its potential use in functional foods: a review
Li-Tao Wang,Mu-Jie Lv,Juan-Yan An,Xiao-Hong Fan,Ming-Zhu Dong,Sun-Dong Zhang,Jian-Dong Wang,Yan-Qiu Wang,Zi-Hui Cai,Yu-Jie Fu Food Funct. 2021 12 1432
4.
Physical properties and chemical constitution. Part XLIX. The refractivities, densities, and surface tensions of some organophosphorus compounds
A. A. Foxton,G. H. Jeffery,A. I. Vogel J. Chem. Soc. A 1966 249
5.
Mannich type reactions of chlorophosphites, phosphoramides and aldehydes (ketones) under solvent-free and catalyst-free conditions—synthesis of N-phosphoramino α-aminophosphonates
Jianfeng Zhang,Zhanwei Cui,Fei Wang,Yadan Wang,Zhiwei Miao,Ruyu Chen Green Chem. 2007 9 1341
6.
Effect of a CNT based composite micromold on the replication fidelity during the microfabrication of polymeric microfluidic devices
R. K. Jena,C. Y. Yue,K. X. Yun RSC Adv. 2014 4 12448
Reaxys RN | 2212412 |
Beilstein | 2212412 |