56951723 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 32 33 34 35 36 37 38 15 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 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 1 2 3 4 4 5 5 6 6 7 7 8 10 11 12 13 14 14 14 15 15 15 16 16 17 17 18 18 19 19 20 21 22 23 2 3 8 9 16 17 14 20 15 21 18 22 19 23 34 20 21 22 23 16 18 24 17 19 25 26 27 28 29 30 31 32 33 35 36 37 38 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 4 16 18 24 3 1 15 5 17 19 25 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 32 33 34 35 36 37 38 7.1962 8.0622 6.3301 10.6603 3.732 10.6603 3.732 6.6962 7.6962 12.3923 2 11.5263 2.866 9.7942 4.5981 8.9282 5.4641 9.7942 4.5981 11.5263 2.866 10.6603 3.732 9.7942 4.5981 8.5297 9.3267 5.8626 5.0656 9.5822 9.1836 4.8101 5.2087 7.0062 11.5263 2.866 10.1233 4.269 0 0.5 -0.5 0 0 2 -2 0.866 -0.866 -0 -0 3.5 -3.5 0.5 -0.5 0 0 1.5 -1.5 0.5 -0.5 3 -3 -0.12 0.12 -0.4749 -0.4749 0.4749 0.4749 2.0826 1.3923 -2.0826 -1.3923 1.403 1.12 -1.12 3.31 -3.31 3 3 14 15 18 19 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 379 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 16 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703C02000000000000000000000000000000000000000000000000000000000000001A00000820000814A080030008000005100840000088800000000000000000000000000100000000000000000100000200000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2,3-diformyloxypropoxy(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-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [3-[2,3-dimethanoyloxypropoxy(oxidanyl)phosphoryl]oxy-2-methanoyloxy-propyl] methanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid [3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxy-propyl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H15O12P/c11-5-17-1-9(19-7-13)3-21-23(15,16)22-4-10(20-8-14)2-18-6-12/h5-10H,1-4H2,(H,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OTYPKFYVKMAHQN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.03011291 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H15O12P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(COP(=O)(O)OCC(COC=O)OC=O)OC=O)OC=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(COP(=O)(O)OCC(COC=O)OC=O)OC=O)OC=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 161 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.03011291 23 2 0 2 0 0 0 0 1 -1