Cas no 126953-08-0 (1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI))
126953-08-0 structure
Product Name:1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI)
CAS No:126953-08-0
MF:C6H12O4
MW:148.157082557678
CID:103291
Update Time:2024-01-24
1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI)
- (S)-(+)-1-O-ACETYL-2-O-METHYLGLYCEROL
- 1,3-Propanediol, 2-methoxy-, monoacetate, (S)- (9CI)
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- Inchi： 1S/C6H12O4/c1-5(8)10-4-6(3-7)9-2/h6-7H,3-4H2,1-2H3/t6-/m0/s1
- InChI Key： HRNRNKPTWVUKBB-LURJTMIESA-N
- SMILES： C(OC(=O)C)[C@@H](OC)CO
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Not determined
- Solubility: Not determined
1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
126953-08-0 (1,3-Propanediol,2-methoxy-, monoacetate, (S)- (9CI)) Related Products
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