57339183 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 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 -1 9 1 1 1 1 1 2 3 4 4 5 5 8 9 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 2 3 6 7 11 13 10 15 12 28 15 14 25 26 27 11 12 16 17 18 19 20 14 21 22 23 24 29 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10 4 11 12 16 1 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 6.001 6.8671 5.135 9.4651 9.4651 5.501 6.501 11.1972 2.5369 8.5991 7.7331 8.5991 4.269 3.403 10.3312 8.5991 7.3346 8.1316 8.3871 7.9885 4.6675 3.8705 3.0044 3.8015 2 2.2269 2.8469 9.4651 10.3312 -0.877 -0.377 -1.377 -0.877 1.123 -0.011 -1.743 -0.877 -0.877 -0.377 -0.877 0.623 -0.877 -1.377 -0.377 -0.997 -1.3519 -1.3519 1.2056 0.5154 -0.402 -0.402 -1.8519 -1.8519 -0.567 -1.4139 -0.3401 1.743 0.243 5 10 4 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 215 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623802000000000000000000000000000000000000000000000000000000000000001E00100820000814E180070008004007100840000088800000000000000000800000000310000000000040000110000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azaniumylethyl [(2R)-2-formyloxy-3-hydroxy-propyl] phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ammonioethyl [(2R)-2-formyloxy-3-hydroxypropyl] phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azaniumylethyl [(2<I>R</I>)-2-formyloxy-3-hydroxypropyl] phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azaniumylethyl [(2R)-2-formyloxy-3-hydroxypropyl] phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azaniumylethyl [(2R)-2-methanoyloxy-3-oxidanyl-propyl] phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ammonioethyl [(2R)-2-formyloxy-3-hydroxy-propyl] phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H14NO7P/c7-1-2-13-15(10,11)14-4-6(3-8)12-5-9/h5-6,8H,1-4,7H2,(H,10,11)/t6-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MIVJYYBLTQGACL-ZCFIWIBFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 243.05078878 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H14NO7P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 243.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(COP(=O)([O-])OCC(CO)OC=O)[NH3+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(COP(=O)([O-])OC[C@@H](CO)OC=O)[NH3+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 243.05078878 15 1 1 0 0 0 0 0 1 -1