Cas no 94992-54-8 (methyl (1R,4aS,7R,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate)
![methyl (1R,4aS,7R,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate structure](https://ossimg.kuujia.com/scimg/95000/94992-54-8x500.png)
94992-54-8 structure
Product Name:methyl (1R,4aS,7R,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
CAS No:94992-54-8
MF:C11H14O6
MW:242.225264072418
CID:1985130
PubChem ID:185378
Update Time:2025-04-21
methyl (1R,4aS,7R,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,7R,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- CHEMBL521209
- DTXSID90915194
- 94992-54-8
- Methyl 1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[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,7alpha,7aalpha))-
-
- 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/t6-,8-,10-,11+/m1/s1
- InChI Key： CYFGAUDUKUUIEV-IALJFVCMSA-N
- SMILES： O1C=C(C(=O)OC)[C@H]2C=C[C@](CO)([C@H]2[C@@H]1O)O
Computed Properties
- Exact Mass: 242.07903816g/mol
- Monoisotopic Mass: 242.07903816g/mol
- 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
Experimental Properties
- Density: 1.468
- Boiling Point: 453.1°C at 760 mmHg
- Flash Point: 179.4°C
- Refractive Index: 1.594
methyl (1R,4aS,7R,7aS)-1,7-dihydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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