Cas no 71084-42-9 (6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride)
![6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride structure](https://ossimg.kuujia.com/scimg/71500/71084-42-9x500.png)
71084-42-9 structure
Product Name:6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
CAS No:71084-42-9
MF:C29H33ClN4O5
MW:553.049126386642
CID:976076
PubChem ID:24197785
Update Time:2025-04-19
6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one,hydrochloride
- 6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
- hydrochloride
- NSC272701
- NSC-272701
- DTXSID60639037
- 71084-42-9
- 6-Amino-3-(2,3,5-tri-O-benzylpentofuranosyl)-3,4-dihydro-1,3,5-triazin-2(1H)-one--hydrogen chloride (1/1)
- 6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride
-
- Inchi： 1S/C29H32N4O5.ClH/c30-28-31-20-33(29(34)32-28)27-26(37-18-23-14-8-3-9-15-23)25(36-17-22-12-6-2-7-13-22)24(38-27)19-35-16-21-10-4-1-5-11-21;/h1-15,24-27H,16-20H2,(H3,30,31,32,34);1H
- InChI Key： GRMYSMDDLMHYIH-UHFFFAOYSA-N
- SMILES： Cl.O1C(COCC2C=CC=CC=2)C(C(C1N1C(NC(N)=NC1)=O)OCC1C=CC=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 552.21400
- Monoisotopic Mass: 552.2139479g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 39
- Rotatable Bond Count: 11
- Complexity: 764
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 107.64000
- LogP: 4.60090
6-amino-3-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;hydrochloride Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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