Cas no 29868-44-8 (β-D-Glucopyranoside, 4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI))
29868-44-8 structure
Product Name:β-D-Glucopyranoside, 4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI)
CAS No:29868-44-8
MF:C17H20O8
MW:352.335906028748
CID:277603
Update Time:2024-03-01
β-D-Glucopyranoside, 4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside,4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI)
- Glucopyranoside,4,8-dihydroxy-6-methyl-1-naphthyl, b-D- (8CI)
- Rossoliside
- CID 101683333
- β-D-Glucopyranoside, 4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI)
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- Inchi： 1S/C17H20O8/c1-7-4-8-9(19)2-3-11(13(8)10(20)5-7)24-17-16(23)15(22)14(21)12(6-18)25-17/h2-5,12,14-23H,6H2,1H3/t12-,14-,15+,16-,17-/m1/s1
- InChI Key： WTSSDILBTNLFAD-USACIQFYSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=CC=C(C2C=C(C)C=C(C1=2)O)O
Computed Properties
- Exact Mass: 352.116
- Monoisotopic Mass: 352.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 448
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 140
- XLogP3: -0.0430000000000007
Experimental Properties
- Density: 1.574±0.06 g/cm3(Predicted)
- Boiling Point: 700.5±60.0 °C(Predicted)
- pka: 9.29±0.40(Predicted)
β-D-Glucopyranoside, 4,8-dihydroxy-6-methyl-1-naphthalenyl (9CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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