Cas no 88110-55-8 ((2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside)
![(2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside structure](https://ossimg.kuujia.com/scimg/88500/88110-55-8x500.png)
88110-55-8 structure
Product Name:(2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside
CAS No:88110-55-8
MF:C27H48O9
MW:516.664629936218
CID:6643265
PubChem ID:44631961
Update Time:2024-03-02
(2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside Chemical and Physical Properties
Names and Identifiers
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- DTXSID301122503
- 88110-55-8
- (2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside
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- Inchi： 1S/C27H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h6-7,9-10,21-22,24-29,31-33H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1
- InChI Key： LBHUIJRTHBBWHP-GRVKTFRUSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O)OC[C@@H](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)O
Computed Properties
- Exact Mass: 516.32983310g/mol
- Monoisotopic Mass: 516.32983310g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 21
- Complexity: 610
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 146?2
(2S)-2-Hydroxy-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl beta-D-galactopyranoside Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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