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

C33H56AcNO24- — CID 59883143

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

actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 59883143) has the molecular formula C33H56AcNO24- and a molecular weight of 1077.79 g/mol. Its IUPAC name is actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

• Compound Name: actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• PubChem CID: 59883143
• Molecular Formula: C33H56AcNO24-
• Molecular Weight: 1077.79 g/mol
• Exact Mass: 1077.35
• IUPAC Name: actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
• SMILES: C=CCO[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)C(O)[C@H](OC3OC(CO)[C@H](O)C(O[C@@H]4OC(CO)[C@H](O)C(O)C4O[C@@H]4OC(C)[C@H](O)C(O)C4O)C3[NH-])C2O)C(O)C1O.[Ac]
• InChI: InChI=1S/C33H56NO24.Ac/c1-3-4-49-30-23(47)21(45)25(13(8-38)54-30)55-32-24(48)27(18(42)12(7-37)52-32)57-29-14(34)26(17(41)11(6-36)51-29)56-33-28(20(44)16(40)10(5-35)53-33)58-31-22(46)19(43)15(39)9(2)50-31;/h3,9-48H,1,4-8H2,2H3;/q-1;/t9?,10?,11?,12?,13?,14?,15-,16-,17-,18?,19?,20?,21?,22?,23?,24?,25-,26?,27-,28?,29?,30+,31-,32-,33-;/m0./s1
• InChIKey: WCXPWXOYRNFLKA-DQNIKADXSA-N
• XLogP: -8.63
• TPSA: 399.32 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.79
LogP ≤ 5	-8.63
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 59883143) is actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

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

The canonical SMILES for actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is C=CCO[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)C(O)[C@H](OC3OC(CO)[C@H](O)C(O[C@@H]4OC(CO)[C@H](O)C(O)C4O[C@@H]4OC(C)[C@H](O)C(O)C4O)C3[NH-])C2O)C(O)C1O.[Ac].

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

The InChIKey is WCXPWXOYRNFLKA-DQNIKADXSA-N. The full InChI is InChI=1S/C33H56NO24.Ac/c1-3-4-49-30-23(47)21(45)25(13(8-38)54-30)55-32-24(48)27(18(42)12(7-37)52-32)57-29-14(34)26(17(41)11(6-36)51-29)56-33-28(20(44)16(40)10(5-35)53-33)58-31-22(46)19(43)15(39)9(2)50-31;/h3,9-48H,1,4-8H2,2H3;/q-1;/t9?,10?,11?,12?,13?,14?,15-,16-,17-,18?,19?,20?,21?,22?,23?,24?,25-,26?,27-,28?,29?,30+,31-,32-,33-;/m0./s1.

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

actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 1077.79 g/mol, XLogP of -8.63, 15 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(5R)-2-[(2S,4S)-2-[(3R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 59883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).