71627300 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 15 8 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 8 9 9 9 10 10 11 11 12 2 5 6 7 10 9 18 11 12 19 20 12 10 11 13 14 15 16 17 21 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 9 3 10 11 13 3 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 3.403 4.269 6.001 7.7331 2.5369 2.903 3.903 9.4651 6.001 5.135 6.8671 8.5991 6.538 4.7365 5.5335 6.4685 7.2656 6.538 2 3.213 8.5991 -0.472 0.028 1.028 0.028 -0.972 0.394 -1.338 0.028 0.028 -0.472 -0.472 -0.472 0.338 -0.9469 -0.9469 -0.9469 -0.9469 1.338 -0.662 0.931 -1.092 3 9 3 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 174 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603802000000000000000000000000000000000000000000000000000000000000001A00000820000814A080030008000007100840000088800000000000000000000000000110000000000000000100000300000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-hydroxy-3-phosphonooxy-propyl) formate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-hydroxy-3-phosphonooxypropyl) formate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-hydroxy-3-phosphonooxypropyl) formate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-oxidanyl-3-phosphonooxy-propyl) methanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 formic acid (2-hydroxy-3-phosphonooxy-propyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H9O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3-4,6H,1-2H2,(H2,7,8,9) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FIZSCSXWOJBHKQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.00858962 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H9O7P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.08 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(COP(=O)(O)O)O)OC=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(COP(=O)(O)O)O)OC=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.00858962 12 1 0 1 0 0 0 0 1 -1