actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)

C156H288Ac12B2O48P2 — CID 160960813

IUPACactinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)
SMILESCCC1OC(O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](O[C@H]4C(C)C(C)[C@H](O[C@@H]5C(CC)O[C@H](C)C(C)[C@H]5C)O[C@H]4CC)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.CCC1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](C)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C46H84O10.2C41H76BO16P.C28H52O6.12Ac/c1-17-33-38(47)23(7)28(12)43(49-33)54-40-25(9)30(14)45(51-35(40)19-3)56-42-27(11)31(15)46(52-37(42)21-5)55-41-26(10)29(13)44(50-36(41)20-4)53-39-24(8)22(6)32(16)48-34(39)18-2;2*1-12-24-33(18(5)17(4)23(10)49-24)54-38-21(8)19(6)34(25(13-2)50-38)55-39-22(9)20(7)35(26(14-3)51-39)56-40-31(47)29(45)36(27(15-43)52-40)57-41-32(48)30(46)37(58-42(11)59)28(16-44)53-41;1-11-21-24(29)15(5)18(8)27(31-21)34-26-17(7)19(9)28(32-23(26)13-3)33-25-16(6)14(4)20(10)30-22(25)12-2;;;;;;;;;;;;/h22-47H,17-21H2,1-16H3;2*17-41,43-48H,12-16,59H2,1-11H3;14-29H,11-13H2,1-10H3;;;;;;;;;;;;/t22?,23-,24-,25-,26?,27?,28?,29?,30?,31?,32-,33?,34?,35?,36+,37+,38+,39+,40+,41+,42+,43?,44+,45+,46-;17?,18?,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;17?,18-,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;14?,15-,16?,17-,18?,19?,20-,21?,22+,23?,24+,25+,26+,27-,28+;;;;;;;;;;;;/m1111............/s1
InChIKeyYVRZLFYEBXCIQW-MMDQMQOQSA-N
MW5739.54 g/mol
LogP18.52
Rot. Bonds50

About actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)

actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) (PubChem CID 160960813) has the molecular formula C156H288Ac12B2O48P2 and a molecular weight of 5739.54 g/mol. Its IUPAC name is actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol).

Molecular Properties

Compound Nameactinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)
PubChem CID160960813
Molecular FormulaC156H288Ac12B2O48P2
Molecular Weight5739.54 g/mol
Exact Mass5738.31
IUPAC Nameactinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)
SMILESCCC1OC(O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](O[C@H]4C(C)C(C)[C@H](O[C@@H]5C(CC)O[C@H](C)C(C)[C@H]5C)O[C@H]4CC)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.CCC1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](C)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C46H84O10.2C41H76BO16P.C28H52O6.12Ac/c1-17-33-38(47)23(7)28(12)43(49-33)54-40-25(9)30(14)45(51-35(40)19-3)56-42-27(11)31(15)46(52-37(42)21-5)55-41-26(10)29(13)44(50-36(41)20-4)53-39-24(8)22(6)32(16)48-34(39)18-2;2*1-12-24-33(18(5)17(4)23(10)49-24)54-38-21(8)19(6)34(25(13-2)50-38)55-39-22(9)20(7)35(26(14-3)51-39)56-40-31(47)29(45)36(27(15-43)52-40)57-41-32(48)30(46)37(58-42(11)59)28(16-44)53-41;1-11-21-24(29)15(5)18(8)27(31-21)34-26-17(7)19(9)28(32-23(26)13-3)33-25-16(6)14(4)20(10)30-22(25)12-2;;;;;;;;;;;;/h22-47H,17-21H2,1-16H3;2*17-41,43-48H,12-16,59H2,1-11H3;14-29H,11-13H2,1-10H3;;;;;;;;;;;;/t22?,23-,24-,25-,26?,27?,28?,29?,30?,31?,32-,33?,34?,35?,36+,37+,38+,39+,40+,41+,42+,43?,44+,45+,46-;17?,18?,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;17?,18-,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;14?,15-,16?,17-,18?,19?,20-,21?,22+,23?,24+,25+,26+,27-,28+;;;;;;;;;;;;/m1111............/s1
InChIKeyYVRZLFYEBXCIQW-MMDQMQOQSA-N
XLogP18.52
TPSA597.04 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds50
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005739.54
LogP ≤ 518.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Analyze actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(2R,3S,6S)-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044812
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
actinium;(2S,4R,5R)-2-[(3R,4R,6R)-6-[(1R,4S,6S)-6-ethyl-2,3,4-trimethylcyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol
CID 59044737
actinium;(2S,5S,6S)-2-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-6-(hydroxymethyl)-4-methyloxane-3,5-diol
CID 59042947
(2R,4R,5R)-2-[(3S,4S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-ethyloxane-3,4,5-triol
CID 174153569
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509
[(3S,4S,6R)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R)-2-(hydroxymethyl)-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methanol
CID 157185741
5-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-ethyl-3-methyloxane-2,4-diol
CID 155455677
(3S,6R)-6-[(3R,4R,6S)-6-[[(1S,4R,6S)-4-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,5,7-trimethyl-3-oxabicyclo[4.1.0]heptan-7-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 59042946
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875

Frequently Asked Questions

What is the IUPAC name of actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)?
The IUPAC name of actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) (CID 160960813) is actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol).
What is the SMILES notation for actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)?
The canonical SMILES for actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) is CCC1OC(O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](O[C@H]4C(C)C(C)[C@H](O[C@@H]5C(CC)O[C@H](C)C(C)[C@H]5C)O[C@H]4CC)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.CCC1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](C)C(C)[C@@H](C)[C@@H]1O[C@@H]1O[C@@H](CC)[C@@H](O[C@H]2O[C@@H](CC)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](OB(C)P)[C@H](O)C4O)[C@H](O)C3O)C(C)C2C)C(C)C1C.CCC1O[C@H](O[C@@H]2C(CC)O[C@@H](O[C@H]3C(C)C(C)[C@@H](C)O[C@H]3CC)C(C)[C@H]2C)C(C)[C@@H](C)[C@@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)?
The InChIKey is YVRZLFYEBXCIQW-MMDQMQOQSA-N. The full InChI is InChI=1S/C46H84O10.2C41H76BO16P.C28H52O6.12Ac/c1-17-33-38(47)23(7)28(12)43(49-33)54-40-25(9)30(14)45(51-35(40)19-3)56-42-27(11)31(15)46(52-37(42)21-5)55-41-26(10)29(13)44(50-36(41)20-4)53-39-24(8)22(6)32(16)48-34(39)18-2;2*1-12-24-33(18(5)17(4)23(10)49-24)54-38-21(8)19(6)34(25(13-2)50-38)55-39-22(9)20(7)35(26(14-3)51-39)56-40-31(47)29(45)36(27(15-43)52-40)57-41-32(48)30(46)37(58-42(11)59)28(16-44)53-41;1-11-21-24(29)15(5)18(8)27(31-21)34-26-17(7)19(9)28(32-23(26)13-3)33-25-16(6)14(4)20(10)30-22(25)12-2;;;;;;;;;;;;/h22-47H,17-21H2,1-16H3;2*17-41,43-48H,12-16,59H2,1-11H3;14-29H,11-13H2,1-10H3;;;;;;;;;;;;/t22?,23-,24-,25-,26?,27?,28?,29?,30?,31?,32-,33?,34?,35?,36+,37+,38+,39+,40+,41+,42+,43?,44+,45+,46-;17?,18?,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;17?,18-,19?,20?,21?,22?,23-,24?,25+,26+,27?,28?,29-,30-,31?,32?,33+,34+,35+,36-,37-,38+,39-,40+,41-;14?,15-,16?,17-,18?,19?,20-,21?,22+,23?,24+,25+,26+,27-,28+;;;;;;;;;;;;/m1111............/s1.
What are the key properties of actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol)?
actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) has a molecular weight of 5739.54 g/mol, XLogP of 18.52, 50 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(3S,4R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4R,6R)-2-ethyl-6-[(3S,4R,6S)-2-ethyl-6-[(2S,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;bis((2R,4R,5S)-2-[(3S,4R,6R)-6-[(2S,3S,6R)-2-ethyl-6-[(2S,3S,6S)-2-ethyl-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-[methyl(phosphanyl)boranyl]oxyoxane-3,4-diol) is sourced from PubChem (CID 160960813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).