Cas no 77856-55-4 ((1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester)
![(1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester structure](https://ossimg.kuujia.com/scimg/78000/77856-55-4x500.png)
77856-55-4 structure
Product Name:(1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester
CAS No:77856-55-4
MF:C17H24O10
MW:388.366466522217
CID:1789691
Update Time:2024-03-01
(1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
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- (1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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- Inchi： 1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2-3,6-8,10-14,16-22H,4-5H2,1H3
- InChI Key： SPCURNZYGRLEBA-UHFFFAOYSA-N
- SMILES： COC(C1C2C(C(C=C2)CO)C(OC2C(O)C(O)C(O)C(CO)O2)OC=1)=O
Computed Properties
- Exact Mass: 388.137
- Monoisotopic Mass: 388.137
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 155A^2
- XLogP3: -1.393
(1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7α-hydroxymethylcyclopenta[c]pyran-4-carboxylic acid methyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Iridoid O-glycosides
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Iridoid O-glycosides
- Natural Products and Extracts Plant Extracts Plant based Feretia apodanthera
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