Cas no 23079-25-6 (1-Docosanol,1-(dihydrogen phosphate))
23079-25-6 structure
Product Name:1-Docosanol,1-(dihydrogen phosphate)
CAS No:23079-25-6
MF:C22H47O4P
MW:406.579948663712
CID:277437
PubChem ID:89994
Update Time:2025-04-19
1-Docosanol,1-(dihydrogen phosphate) Chemical and Physical Properties
Names and Identifiers
-
- 1-Docosanol,1-(dihydrogen phosphate)
- 1-docosanol, dihydrogen phosphate
- Docosyl dihydrogen phosphate
- DTXSID7066855
- 1-Docosanol, 1-(dihydrogen phosphate)
- MONOBEHENYL PHOSPHATE
- UNII-366D9UAY69
- SCHEMBL1191894
- 23079-25-6
- Docosyl phosphate
- Phosphoric acid dihydrogen docosyl ester
- DIHYDROGEN MONODOCOSYL PHOSPHATE
- Q27256535
- behenyl phosphate
- 366D9UAY69
-
- Inchi： 1S/C22H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25/h2-22H2,1H3,(H2,23,24,25)
- InChI Key： LNTZHXQMPUKVNX-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 406.32141
- Monoisotopic Mass: 406.321
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 22
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.4
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 0.974
- Boiling Point: 515°Cat760mmHg
- Flash Point: 265.3°C
- Refractive Index: 1.466
- PSA: 66.76
1-Docosanol,1-(dihydrogen phosphate) Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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