444183 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 15 8 8 8 8 8 8 7 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 4 4 5 5 6 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 2 3 6 7 10 12 9 23 11 24 25 13 26 27 10 11 14 15 16 17 18 13 19 20 21 22 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 9 4 10 11 14 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 6.001 6.8671 5.135 8.5991 10.3312 5.501 6.501 2.5369 8.5991 7.7331 9.4651 4.269 3.403 8.0622 7.3346 8.1316 9.0666 9.8637 4.6675 3.8705 3.0044 3.8015 9.136 10.8681 5.811 2 2.5369 -0.472 0.028 -0.972 1.028 0.028 0.394 -1.338 -0.472 0.028 -0.472 -0.472 -0.472 -0.972 0.338 -0.9469 -0.9469 -0.9469 -0.9469 0.003 0.003 -1.4469 -1.4469 1.338 -0.282 0.931 -0.782 0.148 6 9 4 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 176 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623802000000000000000000000000000000000000000000000000000000000000001E00100820000814E180060000004003100040000000800000000000000000800000000310000000000040000110000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethyl [(2<I>R</I>)-2,3-dihydroxypropyl] hydrogen phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanylethyl [(2R)-2,3-bis(oxidanyl)propyl] hydrogen phosphate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JZNWSCPGTDBMEW-RXMQYKEDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -5.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.05587416 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H14NO6P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(COP(=O)(O)OCC(CO)O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(COP(=O)(O)OC[C@@H](CO)O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 122 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 215.05587416 13 1 1 0 0 0 0 0 1 -1