actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate

C60H60Ac3N4O19S3 — CID 158085064

IUPACactinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
SMILESCNC(=O)c1cc2c(Oc3ccc(CO[C@H]4CC(O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO[C@H]4C[C@@H](O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.[Ac].[Ac].[Ac]
InChIInChI=1S/C22H24N2O7S.C22H23NO8S.C16H13NO4S.3Ac/c1-23-22(28)18-6-14-16(8-24-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(26)21(27)17(10-25)31-20;1-28-22(27)18-6-14-16(8-23-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(25)21(26)17(10-24)31-20;1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11;;;/h2-6,8-9,15,17,20-21,25-27H,7,10-11H2,1H3,(H,23,28);2-6,8-9,15,17,20-21,24-26H,7,10-11H2,1H3;2-8,18H,9H2,1H3;;;/t15?,17-,20-,21+;15-,17-,20-,21+;;;;/m11..../s1
InChIKeyZHOBLCVPBBTSCT-LBOYFFLRSA-N
MW1918.35 g/mol
LogP7.38
Rot. Bonds18

About actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate

actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 158085064) has the molecular formula C60H60Ac3N4O19S3 and a molecular weight of 1918.35 g/mol. Its IUPAC name is actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameactinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
PubChem CID158085064
Molecular FormulaC60H60Ac3N4O19S3
Molecular Weight1918.35 g/mol
Exact Mass1917.38
IUPAC Nameactinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
SMILESCNC(=O)c1cc2c(Oc3ccc(CO[C@H]4CC(O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO[C@H]4C[C@@H](O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.[Ac].[Ac].[Ac]
InChIInChI=1S/C22H24N2O7S.C22H23NO8S.C16H13NO4S.3Ac/c1-23-22(28)18-6-14-16(8-24-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(26)21(27)17(10-25)31-20;1-28-22(27)18-6-14-16(8-23-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(25)21(26)17(10-24)31-20;1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11;;;/h2-6,8-9,15,17,20-21,25-27H,7,10-11H2,1H3,(H,23,28);2-6,8-9,15,17,20-21,24-26H,7,10-11H2,1H3;2-8,18H,9H2,1H3;;;/t15?,17-,20-,21+;15-,17-,20-,21+;;;;/m11..../s1
InChIKeyZHOBLCVPBBTSCT-LBOYFFLRSA-N
XLogP7.38
TPSA326.59 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.35
LogP ≤ 57.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate (CID 158085064) is actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate is CNC(=O)c1cc2c(Oc3ccc(CO[C@H]4CC(O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1.COC(=O)c1cc2c(Oc3ccc(CO[C@H]4C[C@@H](O)[C@H](O)[C@@H](CO)O4)cc3)cncc2s1.[Ac].[Ac].[Ac].
What is the InChIKey of actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is ZHOBLCVPBBTSCT-LBOYFFLRSA-N. The full InChI is InChI=1S/C22H24N2O7S.C22H23NO8S.C16H13NO4S.3Ac/c1-23-22(28)18-6-14-16(8-24-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(26)21(27)17(10-25)31-20;1-28-22(27)18-6-14-16(8-23-9-19(14)32-18)30-13-4-2-12(3-5-13)11-29-20-7-15(25)21(26)17(10-24)31-20;1-20-16(19)14-6-12-13(7-17-8-15(12)22-14)21-11-4-2-10(9-18)3-5-11;;;/h2-6,8-9,15,17,20-21,25-27H,7,10-11H2,1H3,(H,23,28);2-6,8-9,15,17,20-21,24-26H,7,10-11H2,1H3;2-8,18H,9H2,1H3;;;/t15?,17-,20-,21+;15-,17-,20-,21+;;;;/m11..../s1.
What are the key properties of actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate?
actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 1918.35 g/mol, XLogP of 7.38, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide;methyl 4-[4-[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate;methyl 4-[4-(hydroxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 158085064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).