754 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 15 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 8 8 8 9 9 10 10 2 5 6 7 9 8 16 10 17 18 19 9 10 11 12 13 14 15 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 3 9 10 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 3.403 4.269 6.001 7.7331 2.5369 2.903 3.903 6.001 5.135 6.8671 6.7372 4.7365 5.5335 6.4685 7.2656 6.538 8.27 2 3.213 -0.472 0.028 1.028 0.028 -0.972 0.394 -1.338 0.028 -0.472 -0.472 0.453 -0.9469 -0.9469 -0.9469 -0.9469 1.338 -0.282 -0.662 0.931 3 8 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 129 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0403802000000000000000000000000000000000000000000000000000000000000001A00000820000814A080020000000003100040000000800000000000000000000000000110000000000040000100000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2,3-dihydroxypropyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2,3-dihydroxypropyl dihydrogen phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2,3-dihydroxypropyl dihydrogen phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2,3-bis(oxidanyl)propyl dihydrogen phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 glyceryl dihydrogen phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 AWUCVROLDVIAJX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 172.013675 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C3H9O6P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 172.073722 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(COP(=O)(O)O)O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(COP(=O)(O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 107 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 172.013675 10 1 0 1 0 0 0 0 1 1