gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate

C43H50AuNO11PS — CID 171691760

IUPACgold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
SMILESCC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COc1ccc(/C=C2\CCC([PH+](c3ccccc3)c3ccccc3)=C2N2CCOCC2)cc1.[Au]
InChIInChI=1S/C29H30NO2P.C14H20O9S.Au/c1-31-25-15-12-23(13-16-25)22-24-14-17-28(29(24)30-18-20-32-21-19-30)33(26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;/h2-13,15-16,22H,14,17-21H2,1H3;10-14,24H,5H2,1-4H3;/b24-22+;;
InChIKeyZNOWMEBIPLDGFX-WPLNXYSRSA-N
MW1016.88 g/mol
LogP4.90
Rot. Bonds11

About gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate

gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate (PubChem CID 171691760) has the molecular formula C43H50AuNO11PS and a molecular weight of 1016.88 g/mol. Its IUPAC name is gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate.

Molecular Properties

Compound Namegold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
PubChem CID171691760
Molecular FormulaC43H50AuNO11PS
Molecular Weight1016.88 g/mol
Exact Mass1016.25
IUPAC Namegold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
SMILESCC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COc1ccc(/C=C2\CCC([PH+](c3ccccc3)c3ccccc3)=C2N2CCOCC2)cc1.[Au]
InChIInChI=1S/C29H30NO2P.C14H20O9S.Au/c1-31-25-15-12-23(13-16-25)22-24-14-17-28(29(24)30-18-20-32-21-19-30)33(26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;/h2-13,15-16,22H,14,17-21H2,1H3;10-14,24H,5H2,1-4H3;/b24-22+;;
InChIKeyZNOWMEBIPLDGFX-WPLNXYSRSA-N
XLogP4.90
TPSA136.13 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.88
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-diphenylphosphanium;gold;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
CID 171691751
CID 58705078
CID 58705078
gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
CID 122364678
[(3S,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 144836714
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[(E)-4-(6-methoxynaphthalen-2-yl)-2-oxobut-3-enyl]oxan-2-yl]methyl acetate
CID 118712659
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyloxan-2-yl]methyl acetate
CID 51350219
[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-methoxybenzoate
CID 122219984
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-phenyloxan-2-yl]methyl acetate
CID 14237836
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate
CID 10531713
[(2R,3R,4S,5R)-3,5-diacetyloxy-4-methoxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
CID 146660885
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-(4-methoxyphenoxy)-5-methyloxan-2-yl]methyl acetate
CID 59576451
[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate
CID 122219992

Frequently Asked Questions

What is the IUPAC name of gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate?
The IUPAC name of gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate (CID 171691760) is gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate.
What is the SMILES notation for gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate?
The canonical SMILES for gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate is CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COc1ccc(/C=C2\CCC([PH+](c3ccccc3)c3ccccc3)=C2N2CCOCC2)cc1.[Au].
What is the InChIKey of gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate?
The InChIKey is ZNOWMEBIPLDGFX-WPLNXYSRSA-N. The full InChI is InChI=1S/C29H30NO2P.C14H20O9S.Au/c1-31-25-15-12-23(13-16-25)22-24-14-17-28(29(24)30-18-20-32-21-19-30)33(26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;/h2-13,15-16,22H,14,17-21H2,1H3;10-14,24H,5H2,1-4H3;/b24-22+;;.
What are the key properties of gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate?
gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate has a molecular weight of 1016.88 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for gold;[(3E)-3-[(4-methoxyphenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-diphenylphosphanium;3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate is sourced from PubChem (CID 171691760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).