24771772 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 30 31 15 8 8 8 8 8 8 8 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 6 8 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 16 17 2 4 6 7 12 11 16 14 13 17 27 16 17 15 29 30 12 13 18 19 20 21 22 15 23 24 25 26 28 31 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 3 12 13 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 26 27 28 29 30 31 6.001 6.8671 9.4651 5.135 9.4651 5.501 6.501 11.1972 10.3312 2.5369 8.5991 7.7331 8.5991 4.269 3.403 10.3312 9.4651 8.5991 7.3346 8.1316 8.3871 7.9885 4.6675 3.8705 3.0044 3.8015 5.811 10.3312 2 2.5369 8.9282 -1.317 -0.817 -1.317 -1.817 0.683 -0.451 -2.183 -1.317 2.183 -1.317 -0.817 -1.317 0.183 -1.317 -1.817 -0.817 1.683 -1.437 -1.7919 -1.7919 0.7656 0.0754 -0.842 -0.842 -2.2919 -2.2919 0.086 -0.197 -1.627 -0.697 1.993 3 11 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 273 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623C02000000000000000000000000000000000000000000000000000000000000001E00100820000814E180070008004005100840000088800000000000000000800000000300000000000000000110000200000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxy-propyl] formate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-methanoyloxy-propyl] methanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxy-propyl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H14NO8P/c8-1-2-15-17(11,12)16-4-7(14-6-10)3-13-5-9/h5-7H,1-4,8H2,(H,11,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FNMRNKWEDURENQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.04570340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H14NO8P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(COP(=O)(O)OCC(COC=O)OC=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(COP(=O)(O)OCC(COC=O)OC=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 271.04570340 17 1 0 1 0 0 0 0 1 -1