13211562 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 15 15 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 1 1 1 1 1 2 2 2 2 3 4 5 6 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 3 4 7 10 5 6 8 10 29 30 31 32 11 12 22 11 17 18 19 13 20 21 14 23 24 15 25 26 16 27 28 33 34 35 1 1 2 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 1 1 1 1 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 5.4641 3.732 6.3301 5.9641 2.866 3.232 4.9641 4.232 3.732 4.5981 4.5981 3.732 2.866 2.866 2 2 5.135 4.8101 5.2087 3.9441 4.3426 3.1951 2.654 2.2554 3.0781 3.4766 1.788 1.3894 6.8671 6.5841 2.866 2.612 1.38 2 2.62 2.44 2.44 2.94 1.574 2.94 1.574 3.306 3.306 0.44 1.94 0.94 -0.56 -1.06 -2.06 -2.56 -3.56 1.63 0.3574 1.0477 -1.1426 -0.4523 0.75 -0.4774 -1.1677 -2.6426 -1.9523 -1.9774 -2.6677 2.63 1.574 3.56 1.574 -3.56 -4.18 -3.56 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 263 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 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0623803000000000000000000000000000000000000000000000000000000000000001C08100820000800C90004020002C000100040000000800000000000000000800800000000020080000400000010008000001000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(pentylamino)-1-phosphono-ethyl]phosphonic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(pentylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(pentylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(pentylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(pentylamino)-1-phosphono-ethyl]phosphonic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(amylamino)-1-phosphono-ethyl]phosphonic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YDYMUJPNPOBLGS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.06876132 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H19NO6P2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCNCC(P(=O)(O)O)P(=O)(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCNCC(P(=O)(O)O)P(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 127 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.06876132 16 0 0 0 0 0 0 0 1 -1