9855484 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 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 5 6 6 7 7 7 8 9 9 6 8 5 17 8 18 9 19 6 7 10 9 11 8 12 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 6 7 10 1 1 6 1 9 5 11 2 1 8 1 3 7 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 4.5576 3.4698 6.3177 2.5896 4.0576 3.7486 5.0576 5.3667 2.7976 3.4453 3.6516 4.9928 5.6641 5.8051 2.1779 2.7113 3.722 6.7785 2 1.0116 -1.3362 0.7329 1.711 -0.5272 0.4239 -0.5272 0.4239 0.7329 -0.4302 1.0362 -1.1438 -0.6561 -0.0145 0.7112 0.1189 -1.9026 0.318 1.9026 5 6 3 5 6 8 2 9 3 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 95 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603800000000000000000000000000000120000000000000000000000000000000001A00000800000814B08003000800000600000000000000000000000000000000000000111002000000024000050000070000C020000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-(hydroxymethyl)tetrahydrofuran-2,4-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-(hydroxymethyl)oxolane-2,4-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>R</I>,5<I>S</I>)-5-(hydroxymethyl)oxolane-2,4-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-(hydroxymethyl)oxolane-2,4-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-(hydroxymethyl)oxolane-2,4-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methyloltetrahydrofuran-2,4-diol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PDWIQYODPROSQH-OVEKKEMJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.05790880 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H10O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.13 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C(OC1O)CO)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1[C@H]([C@@H](OC1O)CO)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.05790880 9 3 2 1 0 0 0 0 1 -1