actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

C40H70AcNO28- — CID 148630412

About actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 148630412) has the molecular formula C40H70AcNO28- and a molecular weight of 1239.98 g/mol. Its IUPAC name is actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• PubChem CID: 148630412
• Molecular Formula: C40H70AcNO28-
• Molecular Weight: 1239.98 g/mol
• Exact Mass: 1239.44
• IUPAC Name: actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• SMILES: CC1OC(OC2[C@H](O[C@@H]3C([NH-])[C@H](O[C@@H]4C(O)[C@@H](O[C@H]5C(CO)O[C@@H](O[C@@H]6C(CO)OC(C(C)(C)C)C(O)[C@H]6O)C(O)[C@H]5O)OC(CO)[C@@H]4O)OC(CO)[C@@H]3O)OC(CO)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@@H]1O.[Ac]
• InChI: InChI=1S/C40H70NO28.Ac/c1-10-17(47)21(51)26(56)36(59-10)69-33-22(52)18(48)11(5-42)63-39(33)67-31-16(41)35(61-12(6-43)19(31)49)68-32-20(50)13(7-44)62-38(28(32)58)66-30-15(9-46)64-37(27(57)24(30)54)65-29-14(8-45)60-34(40(2,3)4)25(55)23(29)53;/h10-39,41-58H,5-9H2,1-4H3;/q-1;/t10?,11?,12?,13?,14?,15?,16?,17-,18+,19+,20+,21?,22+,23-,24-,25?,26+,27?,28?,29-,30+,31-,32+,33?,34?,35+,36?,37+,38-,39+;/m1./s1
• InChIKey: TZJHQRUOJUINQX-BJTKLZLXSA-N
• XLogP: -9.92
• TPSA: 469.24 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.98
LogP ≤ 5	-9.92
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The IUPAC name of actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 148630412) is actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

What is the SMILES notation for actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The canonical SMILES for actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is CC1OC(OC2[C@H](O[C@@H]3C([NH-])[C@H](O[C@@H]4C(O)[C@@H](O[C@H]5C(CO)O[C@@H](O[C@@H]6C(CO)OC(C(C)(C)C)C(O)[C@H]6O)C(O)[C@H]5O)OC(CO)[C@@H]4O)OC(CO)[C@@H]3O)OC(CO)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@@H]1O.[Ac].

What is the InChIKey of actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

The InChIKey is TZJHQRUOJUINQX-BJTKLZLXSA-N. The full InChI is InChI=1S/C40H70NO28.Ac/c1-10-17(47)21(51)26(56)36(59-10)69-33-22(52)18(48)11(5-42)63-39(33)67-31-16(41)35(61-12(6-43)19(31)49)68-32-20(50)13(7-44)62-38(28(32)58)66-30-15(9-46)64-37(27(57)24(30)54)65-29-14(8-45)60-34(40(2,3)4)25(55)23(29)53;/h10-39,41-58H,5-9H2,1-4H3;/q-1;/t10?,11?,12?,13?,14?,15?,16?,17-,18+,19+,20+,21?,22+,23-,24-,25?,26+,27?,28?,29-,30+,31-,32+,33?,34?,35+,36?,37+,38-,39+;/m1./s1.

What are the key properties of actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?

actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 1239.98 g/mol, XLogP of -9.92, 15 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(2S,4R,5R)-2-[(2R,4S,5S)-2-[(3R,4R,6S)-6-[(3S,4R)-6-tert-butyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 148630412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).