Cas no 6340-54-1 ([4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate)
![[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate structure](https://ossimg.kuujia.com/scimg/6500/6340-54-1x500.png)
6340-54-1 structure
Product Name:[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate
CAS No:6340-54-1
MF:C9H16O7
MW:236.219143867493
CID:1651366
PubChem ID:242519
Update Time:2025-04-21
[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate Chemical and Physical Properties
Names and Identifiers
-
- [4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate
- NSC51244
- NSC403958
- AC1L69NN
- methyl 4-O-acetylhexopyranoside
- NSC51244; NSC403958; AC1L69NN; methyl 4-O-acetylhexopyranoside;
- 6340-54-1
- NSC-51244
- DTXSID10287466
- NSC-403958
- 7464-26-8
-
- Inchi： 1S/C9H16O7/c1-4(11)15-8-5(3-10)16-9(14-2)7(13)6(8)12/h5-10,12-13H,3H2,1-2H3
- InChI Key： OWCIMOLLDRPCDP-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CO)OC(C)=O)O)O)OC
Computed Properties
- Exact Mass: 236.08958
- Monoisotopic Mass: 236.08960285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 105.45
- LogP: -1.99650
[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] Acetate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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