24798685 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 39 40 41 15 8 8 8 8 8 8 8 8 7 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 1 1 10 1 1 1 1 1 2 3 4 4 5 7 7 8 9 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 18 18 19 20 2 3 5 6 15 17 16 19 39 18 20 19 20 11 12 13 14 15 21 22 23 24 25 26 27 28 29 30 31 32 33 17 18 34 35 36 37 38 40 41 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 1 1 1 1 1 1 1 1 1 1 16 4 17 18 34 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 30 31 32 33 34 35 36 37 38 39 40 41 6.3301 5.4641 7.1962 9.7942 5.8301 6.8301 9.7942 11.5263 10.6603 2.866 3.732 2 2.366 3.366 4.5981 8.9282 8.0622 8.9282 10.6603 9.7942 3.3335 4.1306 2.31 1.4631 1.69 1.8291 2.056 2.903 3.903 3.676 2.8291 4.9966 4.1996 9.4651 7.6636 8.4607 8.7162 8.3176 6.1401 10.6603 9.2573 -1.317 -1.817 -0.817 -1.317 -0.451 -2.183 0.683 -1.317 2.183 -1.317 -1.817 -0.817 -2.183 -0.451 -1.317 -0.817 -1.317 0.183 -0.817 1.683 -2.2919 -2.2919 -0.2801 -0.507 -1.3539 -1.873 -2.72 -2.493 -0.761 0.086 -0.141 -0.842 -0.842 -0.507 -1.7919 -1.7919 0.7656 0.0754 0.086 -0.197 1.993 5 16 4 1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 343 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723C02000000000000000000000000000000000000000000000000000000000000001E00000820000814E180070208030005100840000088800000000000000000000800000300000000000000000100001200000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2R)-2,3-diformyloxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2<I>R</I>)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2R)-2,3-dimethanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2R)-2,3-diformyloxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H20NO8P/c1-11(2,3)4-5-18-20(14,15)19-7-10(17-9-13)6-16-8-12/h8-10H,4-7H2,1-3H3/p+1/t10-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RBAWEGYJSDPEHX-SNVBAGLBSA-O Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.10047863 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H21NO8P+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)OC=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+](C)(C)CCOP(=O)(O)OC[C@@H](COC=O)OC=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.10047863 20 1 1 0 0 0 0 0 1 -1