actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C15H26Ac7O11 — CID 59087720

About actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59087720) has the molecular formula C15H26Ac7O11 and a molecular weight of 1971.36 g/mol. Its IUPAC name is actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 59087720
• Molecular Formula: C15H26Ac7O11
• Molecular Weight: 1971.36 g/mol
• Exact Mass: 1971.34
• IUPAC Name: actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C=CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
• InChI: InChI=1S/C15H26O11.7Ac/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15;;;;;;;/h2,6-22H,1,3-5H2
• InChIKey: YDRLBORSAOJGRU-UHFFFAOYSA-N
• XLogP: -4.19
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.36
LogP ≤ 5	-4.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59087720) is actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is C=CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].

What is the InChIKey of actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is YDRLBORSAOJGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O11.7Ac/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15;;;;;;;/h2,6-22H,1,3-5H2;;;;;;;.

What are the key properties of actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1971.36 g/mol, XLogP of -4.19, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;2-[4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59087720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).