1015 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 15 8 8 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 6 6 7 7 7 8 8 2 3 4 5 7 15 16 8 13 14 8 9 10 11 12 1 1 1 2 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 3.403 4.269 2.5369 2.903 3.903 6.8671 5.135 6.001 4.7365 5.5335 6.3996 5.6025 7.404 6.8671 2 3.213 -0.2685 0.2315 -0.7685 0.5976 -1.1345 -0.2685 -0.2685 0.2315 -0.7434 -0.7434 0.7065 0.7065 0.0415 -0.8885 -0.4585 1.1345 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 98.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0423802000000000000000000000000000000000000000000000000000000000000001E00100820000000E180060000004001100040000000800000000000000000800000000200000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-aminoethyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-aminoethyl dihydrogen phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-aminoethyl dihydrogen phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-azanylethyl dihydrogen phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-aminoethyl dihydrogen phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 SUHOOTKUPISOBE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -4.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.019094 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H8NO4P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.062982 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(COP(=O)(O)O)N SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(COP(=O)(O)O)N Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 92.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.019094 8 0 0 0 0 0 0 0 1 1