Cas no 54587-50-7 (b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl)
![b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl structure](https://ossimg.kuujia.com/scimg/55000/54587-50-7x500.png)
54587-50-7 structure
Product Name:b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl
CAS No:54587-50-7
MF:C21H31NO8
MW:425.472747087479
CID:368389
PubChem ID:6453033
Update Time:2025-04-19
b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-yl]oxyoxane-2-carboxylic acid
- alprenolol glucuronide
- 54587-50-7
- DTXSID70969837
- beta-D-Glucopyranosiduronic acid, 1-(((1-methylethyl)amino)methyl)-2-(2-(2-propenyl)phenoxy)ethyl
- 1-[(Propan-2-yl)amino]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-yl hexopyranosiduronic acid
-
- Inchi： 1S/C21H31NO8/c1-4-7-13-8-5-6-9-15(13)28-11-14(10-22-12(2)3)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h4-6,8-9,12,14,16-19,21-25H,1,7,10-11H2,2-3H3,(H,26,27)/t14?,16-,17-,18+,19-,21+/m0/s1
- InChI Key： BALXTVIXZJOBOI-ZURLMRQQSA-N
- SMILES： O1[C@H](C(=O)O)[C@H]([C@@H]([C@H]([C@@H]1OC(COC1C=CC=CC=1CC=C)CNC(C)C)O)O)O
Computed Properties
- Exact Mass: 425.204967
- Monoisotopic Mass: 425.204967
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 545
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138
- XLogP3: -0.9
Experimental Properties
- Density: 1.29
- Boiling Point: 646°C at 760 mmHg
- Flash Point: 344.5°C
- Refractive Index: 1.578
b-D-Glucopyranosiduronic acid,1-[[(1-methylethyl)amino]methyl]-2-[2-(2-propen-1-yl)phenoxy]ethyl Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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