Cas no 261949-43-3 (beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate])
![beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate] structure](https://ossimg.kuujia.com/scimg/262000/261949-43-3x500.png)
261949-43-3 structure
Product Name:beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate]
CAS No:261949-43-3
MF:C15H24O7
MW:316.346865653992
CID:6647085
PubChem ID:101022925
Update Time:2024-03-02
beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate] Chemical and Physical Properties
Names and Identifiers
-
- 261949-43-3
- beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate]
- DTXSID701192483
-
- Inchi： 1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+/t10-,11-,12+,13-,15+/m1/s1
- InChI Key： BHPXBBXWEPCSOK-OIZISVETSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC(/C(/C)=C/C/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 316.15220310g/mol
- Monoisotopic Mass: 316.15220310g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 439
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 116?2
beta-D-Glucopyranose, 1-[(2E)-2,6-dimethyl-2,5-heptadienoate] Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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