717 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 15 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 7 7 8 9 11 11 12 12 13 13 14 14 15 15 16 16 6 8 9 10 11 14 11 24 12 25 13 26 15 16 27 28 29 12 15 13 17 14 18 16 19 20 21 22 23 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 2 3 12 15 3 1 12 4 11 13 17 3 1 13 5 12 14 18 3 1 14 2 13 16 19 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 21 22 23 24 25 26 27 28 29 6.3909 5.0298 3.633 2.4608 3.133 5.8031 6.3031 6.9787 7.1999 5.5819 4.2208 3.4118 3.7208 4.7208 4.8086 5.3086 2.9734 4.0023 5.3332 4.9795 4.2514 4.7514 5.4795 3.8852 2 3.3852 6.6676 7.5953 7.7663 1.8094 -0.2919 1.1049 0.0171 -2.052 1.0004 -1.9475 2.6184 1.2216 2.3972 0.2959 -0.2919 -1.243 -1.243 1.1049 -2.052 -0.7303 -1.7954 -1.146 1.7009 1.3767 -2.3238 -2.648 1.6713 -0.3978 -2.6184 -2.449 2.5536 1.4738 3 3 3 3 11 12 13 14 3 4 5 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 290 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603C02000000000000000000000000000120000000000000000000000000000000001A00000820000814A08002000800000710004000000080000000000000000000000000111002000000024000050000070001C060040000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [2,3,4-trihydroxy-5-(hydroxymethyl)-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(hydroxymethyl)-2,3,4-tris(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,3,4-trihydroxy-5-methylol-tetrahydrofuran-2-yl)methyl dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RHKKZBWRNHGJEZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.02971899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H13O9P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 157 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.02971899 16 4 0 4 0 0 0 0 1 -1