Cas no 79916-78-2 ((2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester)
![(2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester structure](https://ossimg.kuujia.com/scimg/80000/79916-78-2x500.png)
79916-78-2 structure
Product Name:(2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester
CAS No:79916-78-2
MF:C18H28O12
MW:436.407727241516
CID:1799080
PubChem ID:101590300
Update Time:2024-03-01
(2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester
- Alpigenoside
- 79916-78-2
- DTXSID801317836
-
- Inchi： 1S/C18H28O12/c1-7(20)12-8(4-11(21)26-2)9(16(25)27-3)6-28-17(12)30-18-15(24)14(23)13(22)10(5-19)29-18/h6-8,10,12-15,17-20,22-24H,4-5H2,1-3H3/t7-,8+,10+,12+,13+,14-,15+,17-,18?/m0/s1
- InChI Key： PIJWCPNNZULZBH-MACKIDLUSA-N
- SMILES： [C@@H]1(OC2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)OC=C(C(OC)=O)[C@@H](CC(OC)=O)[C@H]1[C@@H](O)C
Computed Properties
- Exact Mass: 436.15807632g/mol
- Monoisotopic Mass: 436.15807632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 637
- 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
- XLogP3: -2.1
- Topological Polar Surface Area: 181?2
(2S)-2β-(β-D-Glucopyranosyloxy)-3,4-dihydro-3α-[(S)-1-hydroxyethyl]-5-methoxycarbonyl-2H-pyran-4α-acetic acid methyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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