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

C18H32Ac11O16 — CID 59044715

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

actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59044715) has the molecular formula C18H32Ac11O16 and a molecular weight of 3001.44 g/mol. Its IUPAC name is actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 59044715
• Molecular Formula: C18H32Ac11O16
• Molecular Weight: 3001.44 g/mol
• Exact Mass: 3001.47
• IUPAC Name: actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1O[C@@H](O[C@H]2C(CO)O[C@@H](O[C@H]3C(CO)O[C@@H](O)C(O)[C@H]3O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
• InChI: InChI=1S/C18H32O16.11Ac/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24;;;;;;;;;;;/h4-29H,1-3H2;;;;;;;;;;;/t4?,5?,6?,7-,8-,9+,10+,11?,12?,13?,14-,15-,16+,17-,18-;;;;;;;;;;;/m0.........../s1
• InChIKey: JNTAZLXHSXMJFQ-RRXQOMFTSA-N
• XLogP: -7.57
• TPSA: 268.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3001.44
LogP ≤ 5	-7.57
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59044715) is actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1O[C@@H](O[C@H]2C(CO)O[C@@H](O[C@H]3C(CO)O[C@@H](O)C(O)[C@H]3O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].

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

The InChIKey is JNTAZLXHSXMJFQ-RRXQOMFTSA-N. The full InChI is InChI=1S/C18H32O16.11Ac/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24;;;;;;;;;;;/h4-29H,1-3H2;;;;;;;;;;;/t4?,5?,6?,7-,8-,9+,10+,11?,12?,13?,14-,15-,16+,17-,18-;;;;;;;;;;;/m0.........../s1.

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

actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 3001.44 g/mol, XLogP of -7.57, 7 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(2S,4S,5R)-2-[(3R,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59044715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).