actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol

C23H40Ac3N6O8 — CID 59036297

About actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol

actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol (PubChem CID 59036297) has the molecular formula C23H40Ac3N6O8 and a molecular weight of 1209.61 g/mol. Its IUPAC name is actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol.

Molecular Properties

• Compound Name: actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol
• PubChem CID: 59036297
• Molecular Formula: C23H40Ac3N6O8
• Molecular Weight: 1209.61 g/mol
• Exact Mass: 1209.37
• IUPAC Name: actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol
• SMILES: CC1[C@H](O[C@H]2C(CO)O[C@@H](C)C(N=[N+]=[N-])[C@H]2O)OC(C)[C@H](O[C@@H]2OC(CO)[C@H](C)[C@H](C)C2N=[N+]=[N-])[C@@H]1C.[Ac].[Ac].[Ac]
• InChI: InChI=1S/C23H40N6O8.3Ac/c1-9-10(2)17(26-28-24)23(35-15(9)7-30)36-20-11(3)12(4)22(34-14(20)6)37-21-16(8-31)33-13(5)18(19(21)32)27-29-25;;;/h9-23,30-32H,7-8H2,1-6H3;;;/t9-,10+,11-,12?,13+,14?,15?,16?,17?,18?,19-,20-,21+,22+,23+;;;/m1.../s1
• InChIKey: YMXDMHUGMWGFKD-QZQOMPOXSA-N
• XLogP: 2.26
• TPSA: 204.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1209.61
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol?

The IUPAC name of actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol (CID 59036297) is actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol.

What is the SMILES notation for actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol?

The canonical SMILES for actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol is CC1[C@H](O[C@H]2C(CO)O[C@@H](C)C(N=[N+]=[N-])[C@H]2O)OC(C)[C@H](O[C@@H]2OC(CO)[C@H](C)[C@H](C)C2N=[N+]=[N-])[C@@H]1C.[Ac].[Ac].[Ac].

What is the InChIKey of actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol?

The InChIKey is YMXDMHUGMWGFKD-QZQOMPOXSA-N. The full InChI is InChI=1S/C23H40N6O8.3Ac/c1-9-10(2)17(26-28-24)23(35-15(9)7-30)36-20-11(3)12(4)22(34-14(20)6)37-21-16(8-31)33-13(5)18(19(21)32)27-29-25;;;/h9-23,30-32H,7-8H2,1-6H3;;;/t9-,10+,11-,12?,13+,14?,15?,16?,17?,18?,19-,20-,21+,22+,23+;;;/m1.../s1.

What are the key properties of actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol?

actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol has a molecular weight of 1209.61 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(3R,4R,6S)-5-azido-3-[(2S,4R,5R)-5-[(2S,4S,5R)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,4,6-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 59036297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).