Cas no 17149-74-5 (Ergocalciferol,5,6-dihydro-5a-hydroxy-,cyclic carbonate (8CI))
17149-74-5 structure
Product Name:Ergocalciferol,5,6-dihydro-5a-hydroxy-,cyclic carbonate (8CI)
CAS No:17149-74-5
MF:C15H12CaN2O2
MW:292.345982551575
CID:122137
PubChem ID:57370507
Update Time:2025-04-18
Ergocalciferol,5,6-dihydro-5a-hydroxy-,cyclic carbonate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergocalciferol,5,6-dihydro-5a-hydroxy-,cyclic carbonate (8CI)
- 5,5-Diphenylhydantoin calcium
- calcium,5,5-diphenylimidazolidine-2,4-dione
- A811374
- 5,5-Diphenylhydantoin calcium salt
- 17199-74-5
- DTXSID50724709
- 5,5-Diphenylimidazolidine-2,4-dione--calcium (1/1)
- 17149-74-5
-
- Inchi： 1S/C15H12N2O2.Ca/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);
- InChI Key： HTGLOTSAWDRCJT-UHFFFAOYSA-N
- SMILES： [Ca].O=C1C(C2C=CC=CC=2)(C2C=CC=CC=2)NC(N1)=O
Computed Properties
- Exact Mass: 292.05256
- Monoisotopic Mass: 292.0524685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 350
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Ergocalciferol,5,6-dihydro-5a-hydroxy-,cyclic carbonate (8CI) Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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