actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)

C202H368Ac9O134S6-6 — CID 162247053

IUPACactinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)
SMILESCC1OC(CO)CC(O)C1C.CCC1CC(OC)C(C)[C@@H](OC)O1.CCC1CC(OC)C(C)[C@@H](OC)O1.COC1CC(CO)O[C@H](OC)C1O.COC1CC(CO)O[C@H](OC)C1O.COC1CC(COS(=O)(=O)[O-])O[C@H](OC)C1OS(=O)(=O)[O-].COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])CC(OS(=O)(=O)[O-])C2OS(=O)(=O)[O-])C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@@H](O)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)CC(O)C2C)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C17H30O14S.2C17H30O11.2C17H32O9.C15H28O7.C14H24O19S3.2C14H24O10.2C10H20O3.C8H16O11S2.2C8H16O5.C8H16O4.C8H16O3.9Ac/c1-23-8-6-28-14(16(18)19)13(10(8)24-2)31-17-15(27-5)12(26-4)11(25-3)9(30-17)7-29-32(20,21)22;2*1-21-9-7-26-14(16(19)20)13(11(9)23-3)28-17-15(25-5)12(24-4)10(22-2)8(6-18)27-17;2*1-9-12(14(21-4)11(19-2)8-24-9)26-17-16(23-6)15(22-5)13(20-3)10(7-18)25-17;1-8-11(17)5-10(6-16)21-15(8)22-13-9(2)20-7-12(18-3)14(13)19-4;1-26-8-5-28-12(13(15)16)11(9(8)27-2)31-14-10(33-36(23,24)25)7(32-35(20,21)22)3-6(30-14)4-29-34(17,18)19;2*1-20-8-5-22-12(13(18)19)11(10(8)21-2)24-14-9(17)7(16)3-6(4-15)23-14;2*1-5-8-6-9(11-3)7(2)10(12-4)13-8;1-15-6-3-5(4-17-20(9,10)11)18-8(16-2)7(6)19-21(12,13)14;2*1-11-6-3-5(4-9)13-8(12-2)7(6)10;1-5-7(9)8(11-3)6(10-2)4-12-5;1-5-6(2)11-7(4-9)3-8(5)10;;;;;;;;;/h8-15,17H,6-7H2,1-5H3,(H,18,19)(H,20,21,22);2*8-15,17-18H,6-7H2,1-5H3,(H,19,20);2*9-18H,7-8H2,1-6H3;8-17H,5-7H2,1-4H3;6-12,14H,3-5H2,1-2H3,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25);2*6-12,14-17H,3-5H2,1-2H3,(H,18,19);2*7-10H,5-6H2,1-4H3;5-8H,3-4H2,1-2H3,(H,9,10,11)(H,12,13,14);2*5-10H,3-4H2,1-2H3;5-9H,4H2,1-3H3;5-10H,3-4H2,1-2H3;;;;;;;;;/p-6/t8?,9?,10?,11-,12?,13-,14?,15?,17+;2*8?,9?,10-,11?,12?,13-,14?,15?,17+;2*9?,10?,11?,12-,13+,14?,15?,16?,17-;8?,9?,10?,11?,12?,13-,14?,15-;3*6?,7?,8?,9?,10?,11-,12?,14+;2*7?,8?,9?,10-;3*5?,6?,7?,8-;5?,6?,7-,8?;;;;;;;;;;/m111000111000001........../s1
InChIKeyHBOWJZAQYBIUPH-XQSCCALQSA-H
MW7176.43 g/mol
LogP-14.00
Rot. Bonds96

About actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)

actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) (PubChem CID 162247053) has the molecular formula C202H368Ac9O134S6-6 and a molecular weight of 7176.43 g/mol. Its IUPAC name is actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid).

Molecular Properties

Compound Nameactinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)
PubChem CID162247053
Molecular FormulaC202H368Ac9O134S6-6
Molecular Weight7176.43 g/mol
Exact Mass7173.28
IUPAC Nameactinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)
SMILESCC1OC(CO)CC(O)C1C.CCC1CC(OC)C(C)[C@@H](OC)O1.CCC1CC(OC)C(C)[C@@H](OC)O1.COC1CC(CO)O[C@H](OC)C1O.COC1CC(CO)O[C@H](OC)C1O.COC1CC(COS(=O)(=O)[O-])O[C@H](OC)C1OS(=O)(=O)[O-].COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])CC(OS(=O)(=O)[O-])C2OS(=O)(=O)[O-])C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@@H](O)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)CC(O)C2C)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C17H30O14S.2C17H30O11.2C17H32O9.C15H28O7.C14H24O19S3.2C14H24O10.2C10H20O3.C8H16O11S2.2C8H16O5.C8H16O4.C8H16O3.9Ac/c1-23-8-6-28-14(16(18)19)13(10(8)24-2)31-17-15(27-5)12(26-4)11(25-3)9(30-17)7-29-32(20,21)22;2*1-21-9-7-26-14(16(19)20)13(11(9)23-3)28-17-15(25-5)12(24-4)10(22-2)8(6-18)27-17;2*1-9-12(14(21-4)11(19-2)8-24-9)26-17-16(23-6)15(22-5)13(20-3)10(7-18)25-17;1-8-11(17)5-10(6-16)21-15(8)22-13-9(2)20-7-12(18-3)14(13)19-4;1-26-8-5-28-12(13(15)16)11(9(8)27-2)31-14-10(33-36(23,24)25)7(32-35(20,21)22)3-6(30-14)4-29-34(17,18)19;2*1-20-8-5-22-12(13(18)19)11(10(8)21-2)24-14-9(17)7(16)3-6(4-15)23-14;2*1-5-8-6-9(11-3)7(2)10(12-4)13-8;1-15-6-3-5(4-17-20(9,10)11)18-8(16-2)7(6)19-21(12,13)14;2*1-11-6-3-5(4-9)13-8(12-2)7(6)10;1-5-7(9)8(11-3)6(10-2)4-12-5;1-5-6(2)11-7(4-9)3-8(5)10;;;;;;;;;/h8-15,17H,6-7H2,1-5H3,(H,18,19)(H,20,21,22);2*8-15,17-18H,6-7H2,1-5H3,(H,19,20);2*9-18H,7-8H2,1-6H3;8-17H,5-7H2,1-4H3;6-12,14H,3-5H2,1-2H3,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25);2*6-12,14-17H,3-5H2,1-2H3,(H,18,19);2*7-10H,5-6H2,1-4H3;5-8H,3-4H2,1-2H3,(H,9,10,11)(H,12,13,14);2*5-10H,3-4H2,1-2H3;5-9H,4H2,1-3H3;5-10H,3-4H2,1-2H3;;;;;;;;;/p-6/t8?,9?,10?,11-,12?,13-,14?,15?,17+;2*8?,9?,10-,11?,12?,13-,14?,15?,17+;2*9?,10?,11?,12-,13+,14?,15?,16?,17-;8?,9?,10?,11?,12?,13-,14?,15-;3*6?,7?,8?,9?,10?,11-,12?,14+;2*7?,8?,9?,10-;3*5?,6?,7?,8-;5?,6?,7-,8?;;;;;;;;;;/m111000111000001........../s1
InChIKeyHBOWJZAQYBIUPH-XQSCCALQSA-H
XLogP-14.00
TPSA1735.92 Ų
H-Bond Donors25
H-Bond Acceptors128
Rotatable Bonds96
Heavy Atoms351
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007176.43
LogP ≤ 5-14.00
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 10128

Analyze actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)?
The IUPAC name of actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) (CID 162247053) is actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid).
What is the SMILES notation for actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)?
The canonical SMILES for actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) is CC1OC(CO)CC(O)C1C.CCC1CC(OC)C(C)[C@@H](OC)O1.CCC1CC(OC)C(C)[C@@H](OC)O1.COC1CC(CO)O[C@H](OC)C1O.COC1CC(CO)O[C@H](OC)C1O.COC1CC(COS(=O)(=O)[O-])O[C@H](OC)C1OS(=O)(=O)[O-].COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)CC(O)C2O)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])CC(OS(=O)(=O)[O-])C2OS(=O)(=O)[O-])C1OC.COC1COC(C(=O)O)[C@H](O[C@@H]2OC(COS(=O)(=O)[O-])[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@@H](O)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)CC(O)C2C)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.COC1COC(C)[C@H](O[C@@H]2OC(CO)[C@@H](OC)C(OC)C2OC)C1OC.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)?
The InChIKey is HBOWJZAQYBIUPH-XQSCCALQSA-H. The full InChI is InChI=1S/C17H30O14S.2C17H30O11.2C17H32O9.C15H28O7.C14H24O19S3.2C14H24O10.2C10H20O3.C8H16O11S2.2C8H16O5.C8H16O4.C8H16O3.9Ac/c1-23-8-6-28-14(16(18)19)13(10(8)24-2)31-17-15(27-5)12(26-4)11(25-3)9(30-17)7-29-32(20,21)22;2*1-21-9-7-26-14(16(19)20)13(11(9)23-3)28-17-15(25-5)12(24-4)10(22-2)8(6-18)27-17;2*1-9-12(14(21-4)11(19-2)8-24-9)26-17-16(23-6)15(22-5)13(20-3)10(7-18)25-17;1-8-11(17)5-10(6-16)21-15(8)22-13-9(2)20-7-12(18-3)14(13)19-4;1-26-8-5-28-12(13(15)16)11(9(8)27-2)31-14-10(33-36(23,24)25)7(32-35(20,21)22)3-6(30-14)4-29-34(17,18)19;2*1-20-8-5-22-12(13(18)19)11(10(8)21-2)24-14-9(17)7(16)3-6(4-15)23-14;2*1-5-8-6-9(11-3)7(2)10(12-4)13-8;1-15-6-3-5(4-17-20(9,10)11)18-8(16-2)7(6)19-21(12,13)14;2*1-11-6-3-5(4-9)13-8(12-2)7(6)10;1-5-7(9)8(11-3)6(10-2)4-12-5;1-5-6(2)11-7(4-9)3-8(5)10;;;;;;;;;/h8-15,17H,6-7H2,1-5H3,(H,18,19)(H,20,21,22);2*8-15,17-18H,6-7H2,1-5H3,(H,19,20);2*9-18H,7-8H2,1-6H3;8-17H,5-7H2,1-4H3;6-12,14H,3-5H2,1-2H3,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25);2*6-12,14-17H,3-5H2,1-2H3,(H,18,19);2*7-10H,5-6H2,1-4H3;5-8H,3-4H2,1-2H3,(H,9,10,11)(H,12,13,14);2*5-10H,3-4H2,1-2H3;5-9H,4H2,1-3H3;5-10H,3-4H2,1-2H3;;;;;;;;;/p-6/t8?,9?,10?,11-,12?,13-,14?,15?,17+;2*8?,9?,10-,11?,12?,13-,14?,15?,17+;2*9?,10?,11?,12-,13+,14?,15?,16?,17-;8?,9?,10?,11?,12?,13-,14?,15-;3*6?,7?,8?,9?,10?,11-,12?,14+;2*7?,8?,9?,10-;3*5?,6?,7?,8-;5?,6?,7-,8?;;;;;;;;;;/m111000111000001........../s1.
What are the key properties of actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid)?
actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) has a molecular weight of 7176.43 g/mol, XLogP of -14.00, 96 rotatable bonds, 25 hydrogen bond donors, and 128 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfonatooxyoxan-2-yl]methyl sulfate;[(3R,6S)-6-[(3R)-2-carboxy-4,5-dimethoxyoxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methyl sulfate;bis((3R)-3-[(2S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid);(3R)-4,5-dimethoxy-2-methyloxan-3-ol;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol;bis([(3R,6S)-6-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-3,4,5-trimethoxyoxan-2-yl]methanol);[(2S)-2,4-dimethoxy-6-(sulfonatooxymethyl)oxan-3-yl] sulfate;bis((2S)-6-ethyl-2,4-dimethoxy-3-methyloxane);bis((2S)-6-(hydroxymethyl)-2,4-dimethoxyoxan-3-ol);6-(hydroxymethyl)-2,3-dimethyloxan-4-ol;bis((3R)-3-[(2S,5R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid) is sourced from PubChem (CID 162247053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).