(2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne

C200H188B5Br6N17O33P2S3 — CID 159300628

About (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne

(2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne (PubChem CID 159300628) has the molecular formula C200H188B5Br6N17O33P2S3 and a molecular weight of 4049.42 g/mol. Its IUPAC name is (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne.

Molecular Properties

• Compound Name: (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne
• PubChem CID: 159300628
• Molecular Formula: C200H188B5Br6N17O33P2S3
• Molecular Weight: 4049.42 g/mol
• Exact Mass: 4041.78
• IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne
• SMILES: BrP(Br)Br.Brc1nccs1.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#C.C1CN=C2NCCCN2C1.CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC.CC(=O)N[C@H](Cc1ccccc1)C(=O)O.CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1.CCOC(=O)c1cc(Cc2ccc(-c3nccs3)cc2)c(C)cn1.CCOC(=O)c1cc(Cc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c(C)cn1.CN1CC(=O)OB(c2ccc(CBr)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(CBr)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(CO)cc2)OC(=O)C1.Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2nccs2)cc1.N[C@H]1CCOC[C@@H]1O.P
• InChI: InChI=1S/C22H23N3O3S.C21H23BN2O6.C19H18N2O2S.C15H22BNO4.C14H2.C13H4.2C12H13BBrNO4.C12H14BNO5.2C12H6.C11H13NO3.C10H2.C7H13N3.C5H11NO2.C3H2BrNS.Br3P.H3P/c1-14-12-24-19(21(27)25-18-6-8-28-13-20(18)26)11-17(14)10-15-2-4-16(5-3-15)22-23-7-9-29-22;1-4-28-21(27)18-10-16(14(2)11-23-18)9-15-5-7-17(8-6-15)22-29-19(25)12-24(3)13-20(26)30-22;1-3-23-19(22)17-11-16(13(2)12-21-17)10-14-4-6-15(7-5-14)18-20-8-9-24-18;1-7-19-13(18)12-8-11(10(2)9-17-12)16-20-14(3,4)15(5,6)21-16;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;2*1-15-7-11(16)18-13(19-12(17)8-15)10-4-2-9(6-14)3-5-10;1-14-6-11(16)18-13(19-12(17)7-14)10-4-2-9(8-15)3-5-10;2*1-3-5-7-9-11-12-10-8-6-4-2;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;1-3-5-7-9-10-8-6-4-2;1-3-8-7-9-4-2-6-10(7)5-1;6-4-1-2-8-3-5(4)7;4-3-5-1-2-6-3;1-4(2)3;/h2-5,7,9,11-12,18,20,26H,6,8,10,13H2,1H3,(H,25,27);5-8,10-11H,4,9,12-13H2,1-3H3;4-9,11-12H,3,10H2,1-2H3;8-9H,7H2,1-6H3;1-2H;1H,2H3;2*2-5H,6-8H2,1H3;2-5,15H,6-8H2,1H3;2*1-2H3;2-6,10H,7H2,1H3,(H,12,13)(H,14,15);1-2H;1-6H2,(H,8,9);4-5,7H,1-3,6H2;1-2H;;1H3/t18-,20-;;;;;;;;;;;10-;;;4-,5-;;;/m0..........1..0.../s1
• InChIKey: LBHCEJFSWNZVCC-KKAZCYIASA-N
• XLogP: 18.13
• TPSA: 639.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 28
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4049.42
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne?

The IUPAC name of (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne (CID 159300628) is (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne.

What is the SMILES notation for (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne?

The canonical SMILES for (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne is BrP(Br)Br.Brc1nccs1.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#C.C1CN=C2NCCCN2C1.CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC.CC(=O)N[C@H](Cc1ccccc1)C(=O)O.CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1.CCOC(=O)c1cc(Cc2ccc(-c3nccs3)cc2)c(C)cn1.CCOC(=O)c1cc(Cc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c(C)cn1.CN1CC(=O)OB(c2ccc(CBr)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(CBr)cc2)OC(=O)C1.CN1CC(=O)OB(c2ccc(CO)cc2)OC(=O)C1.Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2nccs2)cc1.N[C@H]1CCOC[C@@H]1O.P.

What is the InChIKey of (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne?

The InChIKey is LBHCEJFSWNZVCC-KKAZCYIASA-N. The full InChI is InChI=1S/C22H23N3O3S.C21H23BN2O6.C19H18N2O2S.C15H22BNO4.C14H2.C13H4.2C12H13BBrNO4.C12H14BNO5.2C12H6.C11H13NO3.C10H2.C7H13N3.C5H11NO2.C3H2BrNS.Br3P.H3P/c1-14-12-24-19(21(27)25-18-6-8-28-13-20(18)26)11-17(14)10-15-2-4-16(5-3-15)22-23-7-9-29-22;1-4-28-21(27)18-10-16(14(2)11-23-18)9-15-5-7-17(8-6-15)22-29-19(25)12-24(3)13-20(26)30-22;1-3-23-19(22)17-11-16(13(2)12-21-17)10-14-4-6-15(7-5-14)18-20-8-9-24-18;1-7-19-13(18)12-8-11(10(2)9-17-12)16-20-14(3,4)15(5,6)21-16;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;2*1-15-7-11(16)18-13(19-12(17)8-15)10-4-2-9(6-14)3-5-10;1-14-6-11(16)18-13(19-12(17)7-14)10-4-2-9(8-15)3-5-10;2*1-3-5-7-9-11-12-10-8-6-4-2;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;1-3-5-7-9-10-8-6-4-2;1-3-8-7-9-4-2-6-10(7)5-1;6-4-1-2-8-3-5(4)7;4-3-5-1-2-6-3;1-4(2)3;/h2-5,7,9,11-12,18,20,26H,6,8,10,13H2,1H3,(H,25,27);5-8,10-11H,4,9,12-13H2,1-3H3;4-9,11-12H,3,10H2,1-2H3;8-9H,7H2,1-6H3;1-2H;1H,2H3;2*2-5H,6-8H2,1H3;2-5,15H,6-8H2,1H3;2*1-2H3;2-6,10H,7H2,1H3,(H,12,13)(H,14,15);1-2H;1-6H2,(H,8,9);4-5,7H,1-3,6H2;1-2H;;1H3/t18-,20-;;;;;;;;;;;10-;;;4-,5-;;;/m0..........1..0.../s1.

What are the key properties of (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne?

(2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne has a molecular weight of 4049.42 g/mol, XLogP of 18.13, 28 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-acetamido-3-phenylpropanoic acid;(3R,4S)-4-aminooxan-3-ol;bis(2-[4-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione);2-bromo-1,3-thiazole;deca-1,3,5,7,9-pentayne;bis(dodeca-2,4,6,8,10-pentayne);ethyl 5-methyl-4-[[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]methyl]pyridine-2-carboxylate;ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;ethyl 5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxylate;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-[4-(hydroxymethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-2-carboxamide;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;tribromophosphane;trideca-1,3,5,7,9,11-hexayne is sourced from PubChem (CID 159300628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).