Cas no 90247-37-3 (diphosphoric acid, c4-20-alkyl esters)
90247-37-3 structure
Product Name:diphosphoric acid, c4-20-alkyl esters
CAS No:90247-37-3
MF:C12H28O8P2
MW:362.293446540833
CID:885839
PubChem ID:3086309
Update Time:2025-04-19
diphosphoric acid, c4-20-alkyl esters Chemical and Physical Properties
Names and Identifiers
-
- diphosphoric acid, c4-20-alkyl esters
- 12-phosphonooxydodecyl dihydrogen phosphate
- DTXSID90238072
- EINECS 290-805-5
- 90247-37-3
- NS00123439
-
- Inchi： 1S/C12H28O8P2/c13-21(14,15)19-11-9-7-5-3-1-2-4-6-8-10-12-20-22(16,17)18/h1-12H2,(H2,13,14,15)(H2,16,17,18)
- InChI Key： MGYRDKQKDZZPJO-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OCCCCCCCCCCCCOP(=O)(O)O
Computed Properties
- Exact Mass: 362.125941
- Monoisotopic Mass: 362.125941
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 317
- 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
- Topological Polar Surface Area: 134
- XLogP3: 1.3
Experimental Properties
- Density: 1.304
- Boiling Point: 550°C at 760 mmHg
- Flash Point: 286.5°C
- Refractive Index: 1.495
- PSA: 153.14000
- LogP: 3.10600
diphosphoric acid, c4-20-alkyl esters Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
90247-37-3 (diphosphoric acid, c4-20-alkyl esters) Related Products
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- 2627-35-2(dodecyl dihydrogen phosphate)
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