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

C41H70Ac2NO27- — CID 148618441

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

actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 148618441) has the molecular formula C41H70Ac2NO27- and a molecular weight of 1462.99 g/mol. Its IUPAC name is actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• PubChem CID: 148618441
• Molecular Formula: C41H70Ac2NO27-
• Molecular Weight: 1462.99 g/mol
• Exact Mass: 1462.47
• IUPAC Name: actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• SMILES: C=CCO[C@@H]1OC(CC)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)C(OC4OC(CO)[C@@](O)(O[C@@H]5OC(CO)[C@H](O)C(O)C5O[C@@H]5OC(C)[C@@H](O)C(O)C5O)CC4[NH-])C3O)C(O)C2O)C(C)C1O.[Ac].[Ac]
• InChI: InChI=1S/C41H70NO27.2Ac/c1-5-7-58-36-21(47)13(3)31(16(6-2)60-36)65-38-29(55)27(53)32(19(11-45)63-38)66-39-30(56)33(24(50)18(10-44)61-39)67-35-15(42)8-41(57,20(12-46)64-35)69-40-34(26(52)23(49)17(9-43)62-40)68-37-28(54)25(51)22(48)14(4)59-37;;/h5,13-40,42-57H,1,6-12H2,2-4H3;;/q-1;;/t13?,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-,40+,41+;;/m1../s1
• InChIKey: GJGKBQQCBRHHTR-RYHAPDNUSA-N
• XLogP: -7.76
• TPSA: 438.01 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1462.99
LogP ≤ 5	-7.76
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 148618441) is actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

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

The canonical SMILES for actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is C=CCO[C@@H]1OC(CC)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)C(OC4OC(CO)[C@@](O)(O[C@@H]5OC(CO)[C@H](O)C(O)C5O[C@@H]5OC(C)[C@@H](O)C(O)C5O)CC4[NH-])C3O)C(O)C2O)C(C)C1O.[Ac].[Ac].

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

The InChIKey is GJGKBQQCBRHHTR-RYHAPDNUSA-N. The full InChI is InChI=1S/C41H70NO27.2Ac/c1-5-7-58-36-21(47)13(3)31(16(6-2)60-36)65-38-29(55)27(53)32(19(11-45)63-38)66-39-30(56)33(24(50)18(10-44)61-39)67-35-15(42)8-41(57,20(12-46)64-35)69-40-34(26(52)23(49)17(9-43)62-40)68-37-28(54)25(51)22(48)14(4)59-37;;/h5,13-40,42-57H,1,6-12H2,2-4H3;;/q-1;;/t13?,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-,40+,41+;;/m1../s1.

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

actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 1462.99 g/mol, XLogP of -7.76, 18 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(5S)-5-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,5S)-2-[(3R,6R)-6-[(3S,6R)-2-ethyl-5-hydroxy-4-methyl-6-prop-2-enoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 148618441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).