6917-84-6 (((2-hydroxypropyl)phosphonic acid)

快速询单

结构式：

(2-hydroxypropyl)phosphonic acidMOL文件

CAS号：

6917-84-6

英文名称：

(2-hydroxypropyl)phosphonic acid

分子式：

C₃H₉O₄P

分子量：

140.074922323227

(2-hydroxypropyl)phosphonic acid(6917-84-6)名称与标识符

名称

英文别名：

(2-hydroxypropyl)phosphonic acid;(2-hydroxypropyl)-Phosphonic acid;(2-Hydroxypropyl)phosphonsaeure;Q27105417;ZFVCONUOLQASEW-UHFFFAOYSA-N;6917-84-6;2-hydroxypropylphosphonic acid;DTXCID601416012;SCHEMBL1533820;76274-77-6;DTXSID10988880;2-hydroxypropylphos-phonic acid;CHEBI:1171;

标识符

InChIKey：

ZFVCONUOLQASEW-UHFFFAOYSA-N

Inchi：

1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)

SMILES：

P(CC(C)O)(=O)(O)O

(2-hydroxypropyl)phosphonic acid(6917-84-6)物化性质

实验特性

LogP : -0.45510
PSA : 77.76
折射率 : 1.487
沸点 : 360.8°C at 760 mmHg
闪点 : 172°C
密度 : 1.472

计算特性

精确分子量 : 140.02387
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 : 140.024
重原子数量 : 8
复杂度 : 106
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 : 1
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） : -1.9
拓扑分子极性表面积 : 77.8Å²

(2-hydroxypropyl)phosphonic acid(6917-84-6)相关文献

1. Biosynthesis of ethers: Unusual or common natural events?
Pablo Domínguez de María,Robert W. van Gemert,Adrie J. J. Straathof,Ulf Hanefeld Nat. Prod. Rep. 2010 27 370
2. Rhodium-catalysed asymmetric hydrogenation as a valuable synthetic tool for the preparation of chiral drugs
Pablo Etayo,Anton Vidal-Ferran Chem. Soc. Rev. 2013 42 728
3. First- and second-sphere contributions to Fe(ii) site activation by cosubstrate binding in non-heme Fe enzymes
Kenneth M. Light,John A. Hangasky,Michael J. Knapp,Edward I. Solomon Dalton Trans. 2014 43 1505
4. The intriguing biology and chemistry of fosfomycin: the only marketed phosphonate antibiotic
Yingying Cao,Qingyao Peng,Shanni Li,Zixin Deng,Jiangtao Gao RSC Adv. 2019 9 42204
5. Recent application of calculations of metal complexes based on density functional theory
Shi-Chao Qi,Jun-ichiro Hayashi,Lu Zhang RSC Adv. 2016 6 77375
6. Recent application of calculations of metal complexes based on density functional theory
Shi-Chao Qi,Jun-ichiro Hayashi,Lu Zhang RSC Adv. 2016 6 77375
7. Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies
Pieter C. A. Bruijnincx,Gerard van Koten,Robertus J. M. Klein Gebbink Chem. Soc. Rev. 2008 37 2716
8. Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies
Pieter C. A. Bruijnincx,Gerard van Koten,Robertus J. M. Klein Gebbink Chem. Soc. Rev. 2008 37 2716
9. Chapter 11. Biological chemistry: biosynthesis
R. A. Hill Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1991 88 283
10. 1-Aminoalkylphosphonous acids. Part 1. Isosteres of the protein amino acids
E. Keith Baylis,Colin D. Campbell,John G. Dingwall J. Chem. Soc. Perkin Trans. 1 1984 2845

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