actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide

C59H94Ac2N5O26P-2 — CID 59958054

About actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide

actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide (PubChem CID 59958054) has the molecular formula C59H94Ac2N5O26P-2 and a molecular weight of 1774.38 g/mol. Its IUPAC name is actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide
• PubChem CID: 59958054
• Molecular Formula: C59H94Ac2N5O26P-2
• Molecular Weight: 1774.38 g/mol
• Exact Mass: 1773.65
• IUPAC Name: actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide
• SMILES: C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\COC(COO)COP(=O)(O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C(=O)NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2[NH-])C(O)C1[NH-].[Ac].[Ac]
• InChI: InChI=1S/C59H94N5O26P.2Ac/c1-28(2)14-13-16-29(3)17-18-31(5)21-24-58(8,9)23-12-11-15-30(4)22-25-79-34(26-80-76)27-81-91(77,78)90-56-48(49(89-57(63)74)59(10,75)50(88-56)51(62)72)87-54-38(61)40(67)45(32(6)83-54)84-53-37(60)41(68)46(33(7)82-53)85-55-44(71)42(69)43(70)47(86-55)52(73)64-39-35(65)19-20-36(39)66;;/h12,14,17,22-23,32-34,37-38,40-50,53-56,60-61,65,67-71,75-76H,5,11,13,15-16,18-21,24-27H2,1-4,6-10H3,(H2,62,72)(H2,63,74)(H,64,73)(H,77,78);;/q-2;;/b23-12+,29-17+,30-22-
• InChIKey: VRAPZBSHVOVZJT-KOCHTXRKSA-N
• XLogP: 3.41
• TPSA: 489.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.38
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide?

The IUPAC name of actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide (CID 59958054) is actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide.

What is the SMILES notation for actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide?

The canonical SMILES for actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide is C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\COC(COO)COP(=O)(O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(C)C(OC2OC(C)C(OC3OC(C(=O)NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2[NH-])C(O)C1[NH-].[Ac].[Ac].

What is the InChIKey of actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide?

The InChIKey is VRAPZBSHVOVZJT-KOCHTXRKSA-N. The full InChI is InChI=1S/C59H94N5O26P.2Ac/c1-28(2)14-13-16-29(3)17-18-31(5)21-24-58(8,9)23-12-11-15-30(4)22-25-79-34(26-80-76)27-81-91(77,78)90-56-48(49(89-57(63)74)59(10,75)50(88-56)51(62)72)87-54-38(61)40(67)45(32(6)83-54)84-53-37(60)41(68)46(33(7)82-53)85-55-44(71)42(69)43(70)47(86-55)52(73)64-39-35(65)19-20-36(39)66;;/h12,14,17,22-23,32-34,37-38,40-50,53-56,60-61,65,67-71,75-76H,5,11,13,15-16,18-21,24-27H2,1-4,6-10H3,(H2,62,72)(H2,63,74)(H,64,73)(H,77,78);;/q-2;;/b23-12+,29-17+,30-22-;;.

What are the key properties of actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide?

actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide has a molecular weight of 1774.38 g/mol, XLogP of 3.41, 32 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[2-[5-azanidyl-6-[6-carbamoyl-4-carbamoyloxy-2-[[3-hydroperoxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-3-yl]azanide is sourced from PubChem (CID 59958054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).