Cas no 549527-19-7 (3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI))
549527-19-7 structure
Product Name:3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI)
CAS No:549527-19-7
MF:C12H24O3
MW:216.317164421082
CID:1020094
PubChem ID:45093429
Update Time:2025-04-20
3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI)
- (2S,3R,4S)-2-Octyltetrahydrofuran-3,4-diol
- 549527-19-7
- DB-246916
- (2S,3r,4s)-2-octyltetrahydro-3,4-furandiol
-
- Inchi： 1S/C12H24O3/c1-2-3-4-5-6-7-8-11-12(14)10(13)9-15-11/h10-14H,2-9H2,1H3/t10-,11-,12+/m0/s1
- InChI Key： YPFMROQPNCEUIF-SDDRHHMPSA-N
- SMILES： O1C[C@@H]([C@H]([C@@H]1CCCCCCCC)O)O
Computed Properties
- Exact Mass: 216.17254462g/mol
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 49.7?2
3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
549527-19-7 (3,4-Furandiol, tetrahydro-2-octyl-, (2S,3R,4S)- (9CI)) Related Products
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- 5306-85-4(Isosorbide dimethyl ether)
- 62435-71-6(Ethyl tetrahydrofurfuryl ether)
- 31692-85-0(GLYCOFUROL)
- 652-67-5(Isosorbide)
- 86087-24-3((3R)-oxolan-3-ol)
- 27826-73-9(2,5-Anhydro-D-glucitol)
- 453-20-3(oxolan-3-ol)
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