actinium;2,3,4,5,6-pentahydroxyhexanoic acid

C6H12Ac5O7 — CID 22966554

IUPACactinium;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H12O7.5Ac/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;/h2-5,7-11H,1H2,(H,12,13);;;;;
InChIKeyWSOSBCYEWFMTMS-UHFFFAOYSA-N
MW1331.16 g/mol
LogP-3.49
Rot. Bonds5

About actinium;2,3,4,5,6-pentahydroxyhexanoic acid

actinium;2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 22966554) has the molecular formula C6H12Ac5O7 and a molecular weight of 1331.16 g/mol. Its IUPAC name is actinium;2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Nameactinium;2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID22966554
Molecular FormulaC6H12Ac5O7
Molecular Weight1331.16 g/mol
Exact Mass1331.20
IUPAC Nameactinium;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H12O7.5Ac/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;/h2-5,7-11H,1H2,(H,12,13);;;;;
InChIKeyWSOSBCYEWFMTMS-UHFFFAOYSA-N
XLogP-3.49
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001331.16
LogP ≤ 5-3.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118
copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824
bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);titanium
CID 132993109

Frequently Asked Questions

What is the IUPAC name of actinium;2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of actinium;2,3,4,5,6-pentahydroxyhexanoic acid (CID 22966554) is actinium;2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for actinium;2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for actinium;2,3,4,5,6-pentahydroxyhexanoic acid is O=C(O)C(O)C(O)C(O)C(O)CO.[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is WSOSBCYEWFMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O7.5Ac/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;/h2-5,7-11H,1H2,(H,12,13);;;;;.
What are the key properties of actinium;2,3,4,5,6-pentahydroxyhexanoic acid?
actinium;2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 1331.16 g/mol, XLogP of -3.49, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 22966554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).