Cas no 52019-14-4 (7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one)
![7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one structure](https://ossimg.kuujia.com/scimg/52500/52019-14-4x500.png)
52019-14-4 structure
Product Name:7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one
CAS No:52019-14-4
MF:C8H13NO6
MW:219.191922903061
CID:936245
PubChem ID:291129
Update Time:2025-04-19
7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one Chemical and Physical Properties
Names and Identifiers
-
- 7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one
- 7-hydroxy-4-(hydroxymethyl)-6-methoxyhexahydro-2h-pyrano[4,3-d][1,3]oxazol-2-one
- AC1Q6HLG
- AG-K-83968
- AR-1H3589
- CTK4J5270
- NSC155699
- NSC-155699
- 7-Hydroxy-4-(hydroxymethyl)-6-methoxytetrahydro-1H-pyrano[4,3-d]oxazol-2(6H)-one
- 52019-14-4
- DTXSID40302999
-
- Inchi： 1S/C8H13NO6/c1-13-7-5(11)4-6(3(2-10)14-7)15-8(12)9-4/h3-7,10-11H,2H2,1H3,(H,9,12)
- InChI Key： PHEHAGYNWNUZEB-UHFFFAOYSA-N
- SMILES： O1C(C(C2C(C1CO)OC(N2)=O)O)OC
Computed Properties
- Exact Mass: 219.07429
- Monoisotopic Mass: 219.07428713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 97.2?2
Experimental Properties
- PSA: 97.25
- LogP: -1.48330
7-hydroxy-4-(hydroxymethyl)-6-methoxy-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-2-one Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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