Cas no 87553-43-3 (methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate)
87553-43-3 structure
Product Name:methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CAS No:87553-43-3
MF:C11H14O6
MW:242.225264072418
CID:1906214
PubChem ID:159100
Update Time:2025-04-21
methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
- Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,7,7a-tetrahydro-1,7-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1R-(1alpha,4aalpha,7beta,7aalpha))-
- 87553-43-3
- DTXSID50236458
-
- Inchi: 1S/C11H14O6/c1-16-9(13)7-4-17-10(14)8-6(7)2-3-11(8,15)5-12/h2-4,6,8,10,12,14-15H,5H2,1H3
- InChI Key: CYFGAUDUKUUIEV-UHFFFAOYSA-N
- SMILES: COC(C1C2C=CC(C2C(O)OC=1)(CO)O)=O
Computed Properties
- Exact Mass: 242.07903816Da
- Monoisotopic Mass: 242.07903816Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 96.2?2
methyl (1R,4aS,7S,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Iridoids and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Iridoids and derivatives
- Natural Products and Extracts Plant Extracts Plant based Tocoyena formosa
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