5779 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 10 7 9 6 17 8 18 9 19 10 20 7 8 11 10 12 9 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 8 7 11 2 1 7 1 6 10 12 1 1 8 3 9 6 13 2 1 9 1 4 8 14 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 4.5576 3.4699 5.6454 6.3177 2.5896 4.0576 3.7486 5.0576 5.3667 2.7976 3.4453 3.6516 4.7762 5.9677 2.1779 2.7113 3.722 6.262 6.4466 2 1.0116 -1.3362 -1.3362 0.7329 1.711 -0.5272 0.4239 -0.5272 0.4239 0.7329 -0.4302 1.0362 -1.0796 -0.1772 0.7112 0.1189 -1.9026 -1.2714 1.3393 1.9026 6 5 6 3 6 7 8 9 2 10 3 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 117 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000120000000000000000000000000000000001A00000800000814B08003000800000600000000000000000000000000000000000000111002000000024000050000070000C020000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (3R,4S,5R)-5-methyloltetrahydrofuran-2,3,4-triol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HMFHBZSHGGEWLO-SOOFDHNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.052823 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H10O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.1299 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C1C(C(C(O1)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 90.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.052823 10 4 3 1 0 0 0 0 1 1