[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid

C128H254BrClN8O80P48 — CID 157294681

IUPAC[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid
SMILESCCCCCCCCc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.CCCCCCCCc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1.CCCCCCCCc1cccnc1CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(-c2ccccc2)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(Cl)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1cccc(Br)n1)P(=O)(OP(C)O)OP(C)O.Cc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.Cc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1
InChIInChI=1S/3C20H41NO10P6.C18H29NO10P6.2C13H27NO10P6.C12H24BrNO10P6.C12H24ClNO10P6/c1-6-7-8-9-10-11-13-18-14-12-17-21-19(18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-12-18-13-14-19(21-17-18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-30(20)26-34(24,27-31(2)21)18(35(25,28-32(3)22)29-33(4)23)13-12-17-11-10-16(14-19-17)15-8-6-5-7-9-15;1-11-6-7-12(14-10-11)8-9-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-11-7-6-8-12(14-11)9-10-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-25(15)21-29(19,22-26(2)16)12(9-8-10-6-5-7-11(13)14-10)30(20,23-27(3)17)24-28(4)18;1-25(15)21-29(19,22-26(2)16)12(8-7-11-6-5-10(13)9-14-11)30(20,23-27(3)17)24-28(4)18/h12,14,17,20,22-25H,6-11,13,15-16H2,1-5H3;12,14-15,20,22-25H,6-11,13,16-17H2,1-5H3;13-14,17,20,22-25H,6-12,15-16H2,1-5H3;5-11,14,18,20-23H,12-13H2,1-4H3;6-7,10,13,15-18H,8-9H2,1-5H3;6-8,13,15-18H,9-10H2,1-5H3;5-7,12,15-18H,8-9H2,1-4H3;5-6,9,12,15-18H,7-8H2,1-4H3
InChIKeyBBFCPAWIQXGTDJ-UHFFFAOYSA-N
MW4787.53 g/mol
LogP48.64
Rot. Bonds126

About [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid

[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid (PubChem CID 157294681) has the molecular formula C128H254BrClN8O80P48 and a molecular weight of 4787.53 g/mol. Its IUPAC name is [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid.

Molecular Properties

Compound Name[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid
PubChem CID157294681
Molecular FormulaC128H254BrClN8O80P48
Molecular Weight4787.53 g/mol
Exact Mass4784.23
IUPAC Name[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid
SMILESCCCCCCCCc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.CCCCCCCCc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1.CCCCCCCCc1cccnc1CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(-c2ccccc2)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(Cl)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1cccc(Br)n1)P(=O)(OP(C)O)OP(C)O.Cc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.Cc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1
InChIInChI=1S/3C20H41NO10P6.C18H29NO10P6.2C13H27NO10P6.C12H24BrNO10P6.C12H24ClNO10P6/c1-6-7-8-9-10-11-13-18-14-12-17-21-19(18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-12-18-13-14-19(21-17-18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-30(20)26-34(24,27-31(2)21)18(35(25,28-32(3)22)29-33(4)23)13-12-17-11-10-16(14-19-17)15-8-6-5-7-9-15;1-11-6-7-12(14-10-11)8-9-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-11-7-6-8-12(14-11)9-10-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-25(15)21-29(19,22-26(2)16)12(9-8-10-6-5-7-11(13)14-10)30(20,23-27(3)17)24-28(4)18;1-25(15)21-29(19,22-26(2)16)12(8-7-11-6-5-10(13)9-14-11)30(20,23-27(3)17)24-28(4)18/h12,14,17,20,22-25H,6-11,13,15-16H2,1-5H3;12,14-15,20,22-25H,6-11,13,16-17H2,1-5H3;13-14,17,20,22-25H,6-12,15-16H2,1-5H3;5-11,14,18,20-23H,12-13H2,1-4H3;6-7,10,13,15-18H,8-9H2,1-5H3;6-8,13,15-18H,9-10H2,1-5H3;5-7,12,15-18H,8-9H2,1-4H3;5-6,9,12,15-18H,7-8H2,1-4H3
InChIKeyBBFCPAWIQXGTDJ-UHFFFAOYSA-N
XLogP48.64
TPSA1318.96 Ų
H-Bond Donors32
H-Bond Acceptors88
Rotatable Bonds126
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004787.53
LogP ≤ 548.64
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1088

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid?
The IUPAC name of [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid (CID 157294681) is [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid.
What is the SMILES notation for [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid?
The canonical SMILES for [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid is CCCCCCCCc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.CCCCCCCCc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1.CCCCCCCCc1cccnc1CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(-c2ccccc2)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1ccc(Cl)cn1)P(=O)(OP(C)O)OP(C)O.CP(O)OP(=O)(OP(C)O)C(CCc1cccc(Br)n1)P(=O)(OP(C)O)OP(C)O.Cc1ccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)nc1.Cc1cccc(CCC(P(=O)(OP(C)O)OP(C)O)P(=O)(OP(C)O)OP(C)O)n1.
What is the InChIKey of [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid?
The InChIKey is BBFCPAWIQXGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H41NO10P6.C18H29NO10P6.2C13H27NO10P6.C12H24BrNO10P6.C12H24ClNO10P6/c1-6-7-8-9-10-11-13-18-14-12-17-21-19(18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-13-18-14-12-15-19(21-18)16-17-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-6-7-8-9-10-11-12-18-13-14-19(21-17-18)15-16-20(36(26,28-32(2)22)29-33(3)23)37(27,30-34(4)24)31-35(5)25;1-30(20)26-34(24,27-31(2)21)18(35(25,28-32(3)22)29-33(4)23)13-12-17-11-10-16(14-19-17)15-8-6-5-7-9-15;1-11-6-7-12(14-10-11)8-9-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-11-7-6-8-12(14-11)9-10-13(29(19,21-25(2)15)22-26(3)16)30(20,23-27(4)17)24-28(5)18;1-25(15)21-29(19,22-26(2)16)12(9-8-10-6-5-7-11(13)14-10)30(20,23-27(3)17)24-28(4)18;1-25(15)21-29(19,22-26(2)16)12(8-7-11-6-5-10(13)9-14-11)30(20,23-27(3)17)24-28(4)18/h12,14,17,20,22-25H,6-11,13,15-16H2,1-5H3;12,14-15,20,22-25H,6-11,13,16-17H2,1-5H3;13-14,17,20,22-25H,6-12,15-16H2,1-5H3;5-11,14,18,20-23H,12-13H2,1-4H3;6-7,10,13,15-18H,8-9H2,1-5H3;6-8,13,15-18H,9-10H2,1-5H3;5-7,12,15-18H,8-9H2,1-4H3;5-6,9,12,15-18H,7-8H2,1-4H3.
What are the key properties of [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid?
[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid has a molecular weight of 4787.53 g/mol, XLogP of 48.64, 126 rotatable bonds, 32 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-chloro-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-methyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(6-octyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid;[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(5-phenyl-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid is sourced from PubChem (CID 157294681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).