tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane

C107H136Br4K4N49O18PS3 — CID 161265441

About tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane

tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane (PubChem CID 161265441) has the molecular formula C107H136Br4K4N49O18PS3 and a molecular weight of 2999.77 g/mol. Its IUPAC name is tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane.

Molecular Properties

• Compound Name: tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane
• PubChem CID: 161265441
• Molecular Formula: C107H136Br4K4N49O18PS3
• Molecular Weight: 2999.77 g/mol
• Exact Mass: 2993.54
• IUPAC Name: tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane
• SMILES: BrBr.C.NCCN1CCC(SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)CC1.Nc1nc(N)c2nc(CBr)cnc2n1.Nc1nc(N)c2nc(CNCCN3CCC(SC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H](O)C4O)CC3)cnc2n1.Nc1nc(N)c2nc(CO)cnc2n1.Nc1nc2ncc(CBr)nc2c(=O)[nH]1.Nc1nc2ncc(CNCCN3CCC(SC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H](O)C4O)CC3)nc2c(=O)[nH]1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H33N13O3S.C24H32N12O4S.C18H15P.C17H27N7O3S.C7H7BrN6.C7H6BrN5O.C7H8N6O.2CH2O3.CH4.Br2.4K.2H/c25-19-16-22(31-10-30-19)37(11-32-16)23-18(39)17(38)14(40-23)9-41-13-1-4-36(5-2-13)6-3-28-7-12-8-29-21-15(33-12)20(26)34-24(27)35-21;25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-3-6-23-4-1-10(2-5-23)28-7-11-13(25)14(26)17(27-11)24-9-22-12-15(19)20-8-21-16(12)24;8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;8-1-3-2-10-5-4(11-3)6(14)13-7(9)12-5;8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;2*2-1-4-3;;1-2;;;;;;/h8,10-11,13-14,17-18,23,28,38-39H,1-7,9H2,(H2,25,30,31)(H4,26,27,29,34,35);8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39);1-15H;8-11,13-14,17,25-26H,1-7,18H2,(H2,19,20,21);2H,1H2,(H4,9,10,11,13,14);2H,1H2,(H3,9,10,12,13,14);1,14H,2H2,(H4,8,9,10,12,13);2*1,3H;1H4;;;;;;;/q;;;;;;;;;;;4*+1;2*-1/p-2/t2*14-,17?,18+,23-;;11-,13?,14+,17-;;;;;;;;;;;;;/m11.1............./s1
• InChIKey: MFLNGZKVLCUUNY-KVXWBFDHSA-L
• XLogP: -12.65
• TPSA: 1042.58 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 68
• Rotatable Bonds: 32
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2999.77
LogP ≤ 5	-12.65
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane?

The IUPAC name of tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane (CID 161265441) is tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane.

What is the SMILES notation for tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane?

The canonical SMILES for tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane is BrBr.C.NCCN1CCC(SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)CC1.Nc1nc(N)c2nc(CBr)cnc2n1.Nc1nc(N)c2nc(CNCCN3CCC(SC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H](O)C4O)CC3)cnc2n1.Nc1nc(N)c2nc(CO)cnc2n1.Nc1nc2ncc(CBr)nc2c(=O)[nH]1.Nc1nc2ncc(CNCCN3CCC(SC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@@H](O)C4O)CC3)nc2c(=O)[nH]1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane?

The InChIKey is MFLNGZKVLCUUNY-KVXWBFDHSA-L. The full InChI is InChI=1S/C24H33N13O3S.C24H32N12O4S.C18H15P.C17H27N7O3S.C7H7BrN6.C7H6BrN5O.C7H8N6O.2CH2O3.CH4.Br2.4K.2H/c25-19-16-22(31-10-30-19)37(11-32-16)23-18(39)17(38)14(40-23)9-41-13-1-4-36(5-2-13)6-3-28-7-12-8-29-21-15(33-12)20(26)34-24(27)35-21;25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-3-6-23-4-1-10(2-5-23)28-7-11-13(25)14(26)17(27-11)24-9-22-12-15(19)20-8-21-16(12)24;8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;8-1-3-2-10-5-4(11-3)6(14)13-7(9)12-5;8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;2*2-1-4-3;;1-2;;;;;;/h8,10-11,13-14,17-18,23,28,38-39H,1-7,9H2,(H2,25,30,31)(H4,26,27,29,34,35);8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39);1-15H;8-11,13-14,17,25-26H,1-7,18H2,(H2,19,20,21);2H,1H2,(H4,9,10,11,13,14);2H,1H2,(H3,9,10,12,13,14);1,14H,2H2,(H4,8,9,10,12,13);2*1,3H;1H4;;;;;;;/q;;;;;;;;;;;4*+1;2*-1/p-2/t2*14-,17?,18+,23-;;11-,13?,14+,17-;;;;;;;;;;;;;/m11.1............./s1.

What are the key properties of tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane?

tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane has a molecular weight of 2999.77 g/mol, XLogP of -12.65, 32 rotatable bonds, 23 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;2-amino-6-[[2-[4-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]piperidin-1-yl]ethylamino]methyl]-3H-pteridin-4-one;2-amino-6-(bromomethyl)-3H-pteridin-4-one;(2S,4S,5R)-2-[[1-(2-aminoethyl)piperidin-4-yl]sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol;(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-[[1-[2-[(2,4-diaminopteridin-6-yl)methylamino]ethyl]piperidin-4-yl]sulfanylmethyl]oxolane-3,4-diol;6-(bromomethyl)pteridine-2,4-diamine;(2,4-diaminopteridin-6-yl)methanol;hydride;methane;molecular bromine;oxido formate;triphenylphosphane is sourced from PubChem (CID 161265441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).