7058-59-5 (Retinal,retinaldehyde)

快速询单

结构式：

RetinalMOL文件

CAS号：

7058-59-5

中文名称：

Retinal

英文名称：

retinaldehyde

分子式：

C₂₀H₂₈O

分子量：

284.435726165771

Retinal(7058-59-5)名称与标识符

名称

中文别名：

Retinal;

标识符

InChIKey：

NCYCYZXNIZJOKI-BOOMUCAASA-N

Inchi：

1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13-

SMILES：

C(=O)/C=C(\C=C\C=C(/C=C/C1C(C)(C)CCCC=1C)\C)/C

Retinal(7058-59-5)物化性质

实验特性

LogP : 5.71690
PSA : 17.07000
沸点 : 421.4 ºC at 760 mmHg
闪点 : 421.4 ºC at 760 mmHg
密度 : 0.948

计算特性

精确分子量 : 284.214016
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 5
同位素质量 : 284.214016
重原子数量 : 21
复杂度 : 522
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 4
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） : 6.2
拓扑分子极性表面积 : 17.1

Retinal(7058-59-5)相关文献

1. Explaining the mobility of retinal in activated rhodopsin and opsin
Blake Mertz,Jun Feng,Conor Corcoran,Brandon Neeley Photochem. Photobiol. Sci. 2015 14 1952
2. Photooxidation mediated by 11-cis and all-trans retinal in single isolated mouse rod photoreceptors
Chunhe Chen,Masahiro Kono,Yiannis Koutalos Photochem. Photobiol. Sci. 2020 19 1300
3. A comprehensive picture of the ultrafast excited-state dynamics of retinal
Oliver Flender,Mirko Scholz,Jonas H?lzer,Kawon Oum,Thomas Lenzer Phys. Chem. Chem. Phys. 2016 18 14941
4. Synthesis of C11-to-C14 methyl-shifted all-trans-retinal analogues and their activities on human aldo-keto reductases
Aurea Rivas,Raquel Pequerul,Vito Barracco,Marta Domínguez,Susana López,Rafael Jiménez,Xavier Parés,Rosana Alvarez,Jaume Farrés,Angel R. de Lera Org. Biomol. Chem. 2020 18 4788
5. Catalytic synthesis of 9-cis-retinoids: mechanistic insights
Shirin Kahremany,Adam Kubas,Gregory P. Tochtrop,Krzysztof Palczewski Dalton Trans. 2019 48 10581
6. Photo-damage, photo-protection and age-related macular degeneration
Melisa D. Marquioni-Ramella,Angela M. Suburo Photochem. Photobiol. Sci. 2015 14 1560
7. Molecular mechanism for thermal denaturation of thermophilic rhodopsin
Ramprasad Misra,Amiram Hirshfeld,Mordechai Sheves Chem. Sci. 2019 10 7365
8. Active site structure and absorption spectrum of channelrhodopsin-2 wild-type and C128T mutant
Yanan Guo,Franziska E. Beyle,Beatrix M. Bold,Hiroshi C. Watanabe,Axel Koslowski,Walter Thiel,Peter Hegemann,Marco Marazzi,Marcus Elstner Chem. Sci. 2016 7 3879
9. Spectroscopic characteristics of Rubricoccus marinus xenorhodopsin (RmXeR) and a putative model for its inward H+ transport mechanism
Saki Inoue,Susumu Yoshizawa,Yu Nakajima,Keiichi Kojima,Takashi Tsukamoto,Takashi Kikukawa,Yuki Sudo Phys. Chem. Chem. Phys. 2018 20 3172
10. Convergent evolution of animal and microbial rhodopsins
Keiichi Kojima,Yuki Sudo RSC Adv. 2023 13 5367