水-17O | 13768-40-6
中文名称:
水-17O
英文名称:
Water-17O
CAS No.:
13768-40-6
分子式:
H2 O
分子量:
18.01528
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:水-17O结构式
名称和标识符
InChIKey
XLYOFNOQVPJJNP-OUBTZVSYSA-N
Inchi
InChI=1S/H2O/h1H2/i1+1
SMILES
[17OH2]
别名信息
- 英文别名 -
Water-17O
(17O)Water
17O Labeled water
Water-17O, 75-80.9 atom % 17O
Water-17O, 75-80.9 atom % 17O
13768-40-6
13768-40-6
Water-17O, 40-44.9 atom % 17O, 99% (CP)
Water-17O, 40-44.9 atom % 17O, 99% (CP)
17O
17O
Water-17O, 7-9.9 atom % 17O
Water-17O, 7-9.9 atom % 17O
13968-48-4
13968-48-4
CS-0564220
CS-0564220
Water-17O, 20-24.9 atom % 17O
Water-17O, 20-24.9 atom % 17O
Oxygen, isotope of mass 17
Oxygen, isotope of mass 17
(17)8O
(17)8O
(~17~O)Water
(~17~O)Water
(17)O
(17)O
Water-17O, 30-34.9 atom % 17O
Water-17O, 30-34.9 atom % 17O
Water-17O, 10-14.9 atom % 17O
Water-17O, 10-14.9 atom % 17O
Water-17O, 45-49.9 atom % 17O
Water-17O, 45-49.9 atom % 17O
Water-17O, 80-84.9 atom % 17O
Water-17O, 80-84.9 atom % 17O
Water-17O, 90 atom % 17O
Water-17O, 90 atom % 17O
Water-17O, 15-19.9 atom % 17O
Water-17O, 15-19.9 atom % 17O
Water-17O, 35-39.9 atom % 17O
Water-17O, 35-39.9 atom % 17O
DTXSID70930542
DTXSID70930542
Water-17O, 70-75.9 atom % 17O, 99% (CP)
Q3359113
Water-17O, 70-75.9 atom % 17O, 99% (CP)
oxygen-17 atom
Q3359113
Oxygen-17
oxygen-17 atom
CHEBI:33819
Oxygen-17
Water-17O, 25-29.9 atom % 17O
CHEBI:33819
HY-108872S1
Water-17O, 25-29.9 atom % 17O
WATER-17O
HY-108872S1
WATER-17O
物化性质
实验特性
沸点
100 °C(lit.)
熔点
0 °C(lit.)
密度
1.044 g/mL at 25 °C
计算特性
精确分子量
19.014781820g/mol
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
0
同位素质量
19.014781820g/mol
重原子数量
1
复杂度
0
同位素原子数量
1
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
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)
-0.5
拓扑分子极性表面积
1Ų
相关文献
1.
17O solid state NMR as a valuable tool for deciphering reaction mechanisms in mechanochemistry: the case study on the 17O-enrichment of hydrated Ca-pyrophosphate biominerals
Ieva Goldberga,Nicholai D. Jensen,Christèle Combes,Frédéric Mentink-Vigier,Xiaoling Wang,Ivan Hung,Zhehong Gan,Julien Trébosc,Thomas-Xavier Métro,Christian Bonhomme,Christel Gervais,Danielle Laurencin Faraday Discuss. 2023 241 250
2.
17O NMR spectroscopy-assisted in vitro bioactivity studies of the intermediates formed via Na2S and RSNO cross-linking reactions
Xingyu Zhu,Yin Gao RSC Adv. 2020 10 39617
3.
Two electrolyte decomposition pathways at nickel-rich cathode surfaces in lithium-ion batteries
Bernardine L. D. Rinkel,J. Padmanabhan Vivek,Nuria Garcia-Araez,Clare P. Grey Energy Environ. Sci. 2022 15 3416
4.
Structure and reactivity of [RuII(terpy)(N^N)Cl]Cl complexes: consequences for biological applications
Marta Chrzanowska,Anna Katafias,Olga Impert,Anna Kozakiewicz,Andrzej Surdykowski,Paulina Brzozowska,Alicja Franke,Achim Zahl,Ralph Puchta,Rudi van Eldik Dalton Trans. 2017 46 10264
5.
Measuring multiple 17O–13C J-couplings in naphthalaldehydic acid: a combined solid state NMR and density functional theory approach
Gregory J. Rees,Stephen P. Day,Kristian E. Barnsley,Dinu Iuga,Jonathan R. Yates,John D. Wallis,John V. Hanna Phys. Chem. Chem. Phys. 2020 22 3400
6.
On the use of 17O NMR for understanding molecular and silica-grafted tungsten oxo siloxide complexes
Y. Bouhoute,D. Grekov,N. Merle,K. C. Szeto,C. Larabi,I. Del Rosal,L. Maron,L. Delevoye,R. M. Gauvin,M. Taoufik Dalton Trans. 2023 52 9573
7.
The structure of the lanthanide aquo ions in solution as studied by
17O NMR spectroscopy and DFT calculations
Kristina Djanashvili,Carlos Platas-Iglesias,Joop A. Peters 17O NMR spectroscopy and DFT calculations. Kristina Djanashvili Carlos Platas-Iglesias Joop A. Peters Dalton Trans. 2008 602
8.
Solid-state NMR of quadrupolar nuclei for investigations into supported organometallic catalysts: scope and frontiers
D. Grekov,T. Vancompernolle,M. Taoufik,L. Delevoye,R. M. Gauvin Chem. Soc. Rev. 2018 47 2572
9.
A facile oxygen-17 NMR method to determine effective viscosity in dilute, molecularly crowded and confined aqueous media
Nasrollah Rezaei-Ghaleh,Francesca Munari,Stefan Becker,Michael Assfalg,Christian Griesinger Chem. Commun. 2019 55 12404
10.
Alignment of 17O-enriched water–endofullerene H2O@C60 in a liquid crystal matrix
Karel Kou?il,Benno Meier,Shamim Alom,Richard J. Whitby,Malcolm H. Levitt Faraday Discuss. 2018 212 517
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