439167 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 15 8 8 8 8 8 8 8 8 6 6 6 6 6 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 8 10 10 10 11 11 12 12 13 14 14 6 7 8 9 11 13 10 21 12 22 13 23 14 24 25 11 12 15 14 16 13 17 18 19 20 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 10 3 12 11 15 2 1 11 2 10 14 16 1 1 12 4 13 10 17 2 1 13 2 5 12 18 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 3.08 5.999 4.9112 7.0868 7.7591 4.031 2.1289 3.389 2.7709 5.499 5.19 6.499 6.808 4.2389 5.7805 5.093 7.1114 6.905 3.6193 4.1526 5.1634 7.7034 7.888 2 3.9954 1.4213 0.4129 -1.9349 -1.9349 0.1342 1.1123 1.7304 2.3724 0.4703 -1.1259 -0.1748 -1.1259 -0.1748 0.1342 -1.6783 0.4375 -1.0289 0.4375 0.1125 -0.4798 -2.5013 -1.8701 0.7406 2.3368 2.5013 6 5 6 3 10 11 12 13 3 14 4 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 238 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603C02000000000000000000000000000120000000000000000000000000000000001A00000820000814B08003000800000710004000000080000000000000000000000000111002000000024000050000070000C020000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R)-3,4,5-trihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2<I>R</I>,3<I>S</I>,4<I>R</I>)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KTVPXOYAKDPRHY-SOOFDHNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.01915430 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H11O8P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 137 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.01915430 14 4 3 1 0 0 0 0 1 -1