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

C35H61AcN2O26- — CID 59894650

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

[(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium (PubChem CID 59894650) has the molecular formula C35H61AcN2O26- and a molecular weight of 1152.86 g/mol. Its IUPAC name is [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium.

Molecular Properties

• Compound Name: [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium
• PubChem CID: 59894650
• Molecular Formula: C35H61AcN2O26-
• Molecular Weight: 1152.86 g/mol
• Exact Mass: 1152.38
• IUPAC Name: [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium
• SMILES: CC(=O)NCCCOC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@H](OC4OC(CO)[C@@H](O)C(OC5OC(CO)[C@@H](O)C(O)C5O)C4O)C(O)C3[NH-])C2O)C(O)C1O.[Ac]
• InChI: InChI=1S/C35H61N2O26.Ac/c1-10(43)37-3-2-4-54-32-24(51)22(49)28(15(9-42)59-32)61-35-25(52)29(18(45)12(6-39)57-35)62-31-16(36)20(47)27(14(8-41)58-31)60-34-26(53)30(19(46)13(7-40)56-34)63-33-23(50)21(48)17(44)11(5-38)55-33;/h11-36,38-42,44-53H,2-9H2,1H3,(H,37,43);/q-1;/t11?,12?,13?,14?,15?,16?,17-,18+,19-,20?,21?,22?,23?,24?,25?,26?,27+,28-,29?,30?,31+,32?,33?,34?,35+;/m1./s1
• InChIKey: AXIAIOUUVGSRCF-NGOCPEAFSA-N
• XLogP: -10.31
• TPSA: 448.65 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.86
LogP ≤ 5	-10.31
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium (CID 59894650) is [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium.

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

The canonical SMILES for [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium is CC(=O)NCCCOC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@H](OC4OC(CO)[C@@H](O)C(OC5OC(CO)[C@@H](O)C(O)C5O)C4O)C(O)C3[NH-])C2O)C(O)C1O.[Ac].

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

The InChIKey is AXIAIOUUVGSRCF-NGOCPEAFSA-N. The full InChI is InChI=1S/C35H61N2O26.Ac/c1-10(43)37-3-2-4-54-32-24(51)22(49)28(15(9-42)59-32)61-35-25(52)29(18(45)12(6-39)57-35)62-31-16(36)20(47)27(14(8-41)58-31)60-34-26(53)30(19(46)13(7-40)56-34)63-33-23(50)21(48)17(44)11(5-38)55-33;/h11-36,38-42,44-53H,2-9H2,1H3,(H,37,43);/q-1;/t11?,12?,13?,14?,15?,16?,17-,18+,19-,20?,21?,22?,23?,24?,25?,26?,27+,28-,29?,30?,31+,32?,33?,34?,35+;/m1./s1.

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

[(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium has a molecular weight of 1152.86 g/mol, XLogP of -10.31, 18 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-2-[(2S,5S)-2-[(3S)-6-(3-acetamidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;actinium is sourced from PubChem (CID 59894650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).