actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol

C6H12Ac4O5 — CID 58666535

IUPACactinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESC[C@H](O)[C@@H]1O[C@@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H12O5.4Ac/c1-2(7)5-3(8)4(9)6(10)11-5;;;;/h2-10H,1H3;;;;/t2-,3+,4?,5-,6+;;;;/m0..../s1
InChIKeyNBXMTCLASSSSMA-XUDACFIWSA-N
MW1072.16 g/mol
LogP-2.19
Rot. Bonds1

About actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol

actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol (PubChem CID 58666535) has the molecular formula C6H12Ac4O5 and a molecular weight of 1072.16 g/mol. Its IUPAC name is actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Nameactinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
PubChem CID58666535
Molecular FormulaC6H12Ac4O5
Molecular Weight1072.16 g/mol
Exact Mass1072.18
IUPAC Nameactinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESC[C@H](O)[C@@H]1O[C@@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H12O5.4Ac/c1-2(7)5-3(8)4(9)6(10)11-5;;;;/h2-10H,1H3;;;;/t2-,3+,4?,5-,6+;;;;/m0..../s1
InChIKeyNBXMTCLASSSSMA-XUDACFIWSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001072.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol (CID 58666535) is actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol is C[C@H](O)[C@@H]1O[C@@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is NBXMTCLASSSSMA-XUDACFIWSA-N. The full InChI is InChI=1S/C6H12O5.4Ac/c1-2(7)5-3(8)4(9)6(10)11-5;;;;/h2-10H,1H3;;;;/t2-,3+,4?,5-,6+;;;;/m0..../s1.
What are the key properties of actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 1072.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 58666535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).