nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium

C109H131N16Na9O40P15S6+9 — CID 172952554

IUPACnonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium
SMILESC=CCN(CPO[O-])C(PO[O-])c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1.CNC(c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)[P+](=O)O[O-].COC(=O)C(Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)N(C[P+](=O)O[O-])C[P+](=O)O[O-].COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C(O)P(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CCN(CP(=O)([O-])O)CP(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)([O-])O)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C21H25N3O10P3S.C20H26N3O6P3S.C19H26N3O8P3S.C17H20N3O5P2S.C16H18N2O6P2S.C16H18N2O5P2S.9Na/c1-23(22-13-17-6-8-18(30-2)9-7-17)37(38)32-19-10-4-16(5-11-19)12-20(21(25)31-3)24(14-35(28)33-26)15-36(29)34-27;1-4-13-23(15-30-28-24)20(31-29-25)17-7-11-19(12-8-17)27-32(33)22(2)21-14-16-5-9-18(26-3)10-6-16;1-21(20-13-17-5-7-18(29-2)8-6-17)31(34)30-19-9-3-16(4-10-19)11-12-22(14-32(23,24)25)15-33(26,27)28;1-18-17(26(22)25-21)14-6-10-16(11-7-14)24-27(28)20(2)19-12-13-4-8-15(23-3)9-5-13;1-18(17-11-12-3-7-14(23-2)8-4-12)25(27)24-15-9-5-13(6-10-15)16(19)26(20,21)22;1-18(17-11-13-3-7-15(22-2)8-4-13)24(26)23-16-9-5-14(6-10-16)12-25(19,20)21;;;;;;;;;/h4-11,13,20H,12,14-15H2,1-3H3;4-12,14,20,30-31H,1,13,15H2,2-3H3,(H-,24,25);3-10,13H,11-12,14-15H2,1-2H3,(H3-,23,24,25,26,27,28);4-12,17-18H,1-3H3;3-11,16,19H,1-2H3,(H-,20,21,22);3-11H,12H2,1-2H3,(H-,19,20,21);;;;;;;;;/q+1;;;+1;;;9*+1/p-2/b22-13+;21-14+;20-13+;19-12+;2*17-11+;;;;;;;;;
InChIKeyDRIWJJLQOGZKSX-APKVYRLGSA-L
MW3169.24 g/mol
LogP-11.81
Rot. Bonds70

About nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium

nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium (PubChem CID 172952554) has the molecular formula C109H131N16Na9O40P15S6+9 and a molecular weight of 3169.24 g/mol. Its IUPAC name is nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium.

Molecular Properties

Compound Namenonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium
PubChem CID172952554
Molecular FormulaC109H131N16Na9O40P15S6+9
Molecular Weight3169.24 g/mol
Exact Mass3167.21
IUPAC Namenonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium
SMILESC=CCN(CPO[O-])C(PO[O-])c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1.CNC(c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)[P+](=O)O[O-].COC(=O)C(Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)N(C[P+](=O)O[O-])C[P+](=O)O[O-].COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C(O)P(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CCN(CP(=O)([O-])O)CP(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)([O-])O)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C21H25N3O10P3S.C20H26N3O6P3S.C19H26N3O8P3S.C17H20N3O5P2S.C16H18N2O6P2S.C16H18N2O5P2S.9Na/c1-23(22-13-17-6-8-18(30-2)9-7-17)37(38)32-19-10-4-16(5-11-19)12-20(21(25)31-3)24(14-35(28)33-26)15-36(29)34-27;1-4-13-23(15-30-28-24)20(31-29-25)17-7-11-19(12-8-17)27-32(33)22(2)21-14-16-5-9-18(26-3)10-6-16;1-21(20-13-17-5-7-18(29-2)8-6-17)31(34)30-19-9-3-16(4-10-19)11-12-22(14-32(23,24)25)15-33(26,27)28;1-18-17(26(22)25-21)14-6-10-16(11-7-14)24-27(28)20(2)19-12-13-4-8-15(23-3)9-5-13;1-18(17-11-12-3-7-14(23-2)8-4-12)25(27)24-15-9-5-13(6-10-15)16(19)26(20,21)22;1-18(17-11-13-3-7-15(22-2)8-4-13)24(26)23-16-9-5-14(6-10-16)12-25(19,20)21;;;;;;;;;/h4-11,13,20H,12,14-15H2,1-3H3;4-12,14,20,30-31H,1,13,15H2,2-3H3,(H-,24,25);3-10,13H,11-12,14-15H2,1-2H3,(H3-,23,24,25,26,27,28);4-12,17-18H,1-3H3;3-11,16,19H,1-2H3,(H-,20,21,22);3-11H,12H2,1-2H3,(H-,19,20,21);;;;;;;;;/q+1;;;+1;;;9*+1/p-2/b22-13+;21-14+;20-13+;19-12+;2*17-11+;;;;;;;;;
InChIKeyDRIWJJLQOGZKSX-APKVYRLGSA-L
XLogP-11.81
TPSA726.74 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds70
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003169.24
LogP ≤ 5-11.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium with MolForge

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Related Compounds

disodium;[2-[4-[[[(E)-[4-bis(phosphanyl)phosphanyloxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate
CID 59400991
[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558263
disodium;[butyl-[[hydroxy(oxido)phosphoryl]-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]amino]methyl-hydroxyphosphinate
CID 59558270
[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium;(4-ethenylphenoxy)-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 172973930
[4-[dimethoxyphosphoryl-[dimethoxyphosphorylmethyl(prop-2-enyl)amino]methyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 58875582
[4-[hydroxy(phosphono)methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-oxophosphanium
CID 59401065
[4-[dimethoxyphosphoryl(hydroxy)methyl]phenoxy]-[[(Z)-[4-[[[(Z)-[4-[[[(Z)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 90931100
[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 59558277
[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium;[4-[(E)-[2,2-bis(dimethylphosphoryl)ethyl-methylhydrazinylidene]methyl]phenoxy]-[[(E)-[4-[[[(E)-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 172927591
[4-[bis(trimethylsilyloxy)phosphoryl-[methyl(trimethylsilyl)amino]methyl]phenoxy]-[[(Z)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
CID 91401996
azido-bis(phosphanyl)phosphane;[4-(dimethoxyphosphorylmethyl)phenoxy]-[methyl-[(E)-[4-[methylamino(sulfanylidene)phosphaniumyl]oxyphenyl]methylideneamino]amino]-sulfanylidenephosphanium;4-methanimidoylphenol
CID 172974354
[[[4-[azido(phosphanyl)phosphanyl]phosphanyloxyphenyl]methylideneamino]-methylamino]-[4-[[4-[[[[4-[2-[bis(dimethoxyphosphorylmethyl)amino]ethyl]phenoxy]-sulfanylidenephosphaniumyl]-methylhydrazinylidene]methyl]phenoxy]methyliminophosphanyl]phenoxy]-sulfanylidenephosphanium;1,1'-biphenyl
CID 90931812

Frequently Asked Questions

What is the IUPAC name of nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium?
The IUPAC name of nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium (CID 172952554) is nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium.
What is the SMILES notation for nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium?
The canonical SMILES for nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium is C=CCN(CPO[O-])C(PO[O-])c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1.CNC(c1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)[P+](=O)O[O-].COC(=O)C(Cc1ccc(O[P+](=S)N(C)/N=C/c2ccc(OC)cc2)cc1)N(C[P+](=O)O[O-])C[P+](=O)O[O-].COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C(O)P(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CCN(CP(=O)([O-])O)CP(=O)([O-])O)cc2)cc1.COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(CP(=O)([O-])O)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium?
The InChIKey is DRIWJJLQOGZKSX-APKVYRLGSA-L. The full InChI is InChI=1S/C21H25N3O10P3S.C20H26N3O6P3S.C19H26N3O8P3S.C17H20N3O5P2S.C16H18N2O6P2S.C16H18N2O5P2S.9Na/c1-23(22-13-17-6-8-18(30-2)9-7-17)37(38)32-19-10-4-16(5-11-19)12-20(21(25)31-3)24(14-35(28)33-26)15-36(29)34-27;1-4-13-23(15-30-28-24)20(31-29-25)17-7-11-19(12-8-17)27-32(33)22(2)21-14-16-5-9-18(26-3)10-6-16;1-21(20-13-17-5-7-18(29-2)8-6-17)31(34)30-19-9-3-16(4-10-19)11-12-22(14-32(23,24)25)15-33(26,27)28;1-18-17(26(22)25-21)14-6-10-16(11-7-14)24-27(28)20(2)19-12-13-4-8-15(23-3)9-5-13;1-18(17-11-12-3-7-14(23-2)8-4-12)25(27)24-15-9-5-13(6-10-15)16(19)26(20,21)22;1-18(17-11-13-3-7-15(22-2)8-4-13)24(26)23-16-9-5-14(6-10-16)12-25(19,20)21;;;;;;;;;/h4-11,13,20H,12,14-15H2,1-3H3;4-12,14,20,30-31H,1,13,15H2,2-3H3,(H-,24,25);3-10,13H,11-12,14-15H2,1-2H3,(H3-,23,24,25,26,27,28);4-12,17-18H,1-3H3;3-11,16,19H,1-2H3,(H-,20,21,22);3-11H,12H2,1-2H3,(H-,19,20,21);;;;;;;;;/q+1;;;+1;;;9*+1/p-2/b22-13+;21-14+;20-13+;19-12+;2*17-11+;;;;;;;;;.
What are the key properties of nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium?
nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium has a molecular weight of 3169.24 g/mol, XLogP of -11.81, 70 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for nonasodium;[4-[2-[bis[[oxidooxy(oxo)phosphaniumyl]methyl]amino]-3-methoxy-3-oxopropyl]phenoxy]-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium;hydroxy-[hydroxy-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;hydroxy-[[[hydroxy(oxido)phosphoryl]methyl-[2-[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]ethyl]amino]methyl]phosphinate;hydroxy-[[4-[[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphaniumyl]oxyphenyl]methyl]phosphinate;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[methylamino-[oxidooxy(oxo)phosphaniumyl]methyl]phenoxy]-sulfanylidenephosphanium;[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-[4-[oxidooxyphosphanyl-[oxidooxyphosphanylmethyl(prop-2-enyl)amino]methyl]phenoxy]-sulfanylidenephosphanium is sourced from PubChem (CID 172952554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).