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

C40H70Ac2N2O26-2 — CID 146831257

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

actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide (PubChem CID 146831257) has the molecular formula C40H70Ac2N2O26-2 and a molecular weight of 1448.99 g/mol. Its IUPAC name is actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide
• PubChem CID: 146831257
• Molecular Formula: C40H70Ac2N2O26-2
• Molecular Weight: 1448.99 g/mol
• Exact Mass: 1448.48
• IUPAC Name: actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide
• SMILES: CC1OC(OC2[C@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(O)[C@H](O[C@@H]5C([NH-])C(C(C)(C)C)OC(CO)[C@@H]5O)OC(CO)[C@@H]4O)C([NH-])[C@H]3O[C@@H]3OC(C)[C@@H](O)[C@@H](O)C3O)OC(CO)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@@H]1O.[Ac].[Ac]
• InChI: InChI=1S/C40H70N2O26.2Ac/c1-10-18(47)23(52)26(55)36(58-10)66-31-17(42)35(67-32-22(51)14(8-45)61-38(28(32)57)65-30-16(41)34(40(3,4)5)60-13(7-44)21(30)50)63-15(9-46)29(31)64-39-33(25(54)20(49)12(6-43)62-39)68-37-27(56)24(53)19(48)11(2)59-37;;/h10-39,41-57H,6-9H2,1-5H3;;/q-2;;/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: VDOYRBQJQNUYAH-NWRJRHRNSA-N
• XLogP: -7.83
• TPSA: 452.58 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1448.99
LogP ≤ 5	-7.83
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide (CID 146831257) is actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide.

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

The canonical SMILES for actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide is CC1OC(OC2[C@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(O)[C@H](O[C@@H]5C([NH-])C(C(C)(C)C)OC(CO)[C@@H]5O)OC(CO)[C@@H]4O)C([NH-])[C@H]3O[C@@H]3OC(C)[C@@H](O)[C@@H](O)C3O)OC(CO)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@@H]1O.[Ac].[Ac].

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

The InChIKey is VDOYRBQJQNUYAH-NWRJRHRNSA-N. The full InChI is InChI=1S/C40H70N2O26.2Ac/c1-10-18(47)23(52)26(55)36(58-10)66-31-17(42)35(67-32-22(51)14(8-45)61-38(28(32)57)65-30-16(41)34(40(3,4)5)60-13(7-44)21(30)50)63-15(9-46)29(31)64-39-33(25(54)20(49)12(6-43)62-39)68-37-27(56)24(53)19(48)11(2)59-37;;/h10-39,41-57H,6-9H2,1-5H3;;/q-2;;/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,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide?

actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide has a molecular weight of 1448.99 g/mol, XLogP of -7.83, 14 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(2S,4R,5S)-2-[(2R,4S,5S)-2-[(4R,5R)-3-azanidyl-2-tert-butyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]azanide is sourced from PubChem (CID 146831257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).