Cas no 5399-48-4 (2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol)
5399-48-4 structure
Product Name:2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol
CAS No:5399-48-4
MF:C9H18O8
MW:254.234424114227
CID:1586467
PubChem ID:219894
Update Time:2025-04-21
2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol Chemical and Physical Properties
Names and Identifiers
-
- 2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol
- methyl octopyranoside
- NSC1679
- SureCN6673359
- AC1L57Q0
- AC1Q79P6
- NSC-1679
- AR-1J6084
- methyl octopyranoside; NSC1679; SureCN6673359; AC1L57Q0; AC1Q79P6; NSC-1679; AR-1J6084;
- 5399-48-4
- SCHEMBL6673359
- DTXSID70277328
- METHYL D-ERYTHRO-.ALPHA.-L-GALACTO-OCTOPYRANOSIDE
-
- Inchi： 1S/C9H18O8/c1-16-9-7(15)5(13)6(14)8(17-9)4(12)3(11)2-10/h3-15H,2H2,1H3
- InChI Key： BUWQUXASEJQVDH-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1C(C(CO)O)O)O)O)O)OC
Computed Properties
- Exact Mass: 254.10014
- Monoisotopic Mass: 254.10016753g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.3
- Topological Polar Surface Area: 140?2
Experimental Properties
- PSA: 139.84
- LogP: -3.84550
2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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