actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol

C8H16Ac4O6 — CID 59059867

IUPACactinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H16O6.4Ac/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;;;;/h4-12H,2-3H2,1H3;;;;/t4?,5-,6+,7?,8+;;;;/m1..../s1
InChIKeyACHANXJDDYOOIV-ZKVPWKASSA-N
MW1116.21 g/mol
LogP-2.18
Rot. Bonds3

About actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol

actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59059867) has the molecular formula C8H16Ac4O6 and a molecular weight of 1116.21 g/mol. Its IUPAC name is actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Nameactinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59059867
Molecular FormulaC8H16Ac4O6
Molecular Weight1116.21 g/mol
Exact Mass1116.21
IUPAC Nameactinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H16O6.4Ac/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;;;;/h4-12H,2-3H2,1H3;;;;/t4?,5-,6+,7?,8+;;;;/m1..../s1
InChIKeyACHANXJDDYOOIV-ZKVPWKASSA-N
XLogP-2.18
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001116.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
CID 174963793

Frequently Asked Questions

What is the IUPAC name of actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59059867) is actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ACHANXJDDYOOIV-ZKVPWKASSA-N. The full InChI is InChI=1S/C8H16O6.4Ac/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;;;;/h4-12H,2-3H2,1H3;;;;/t4?,5-,6+,7?,8+;;;;/m1..../s1.
What are the key properties of actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1116.21 g/mol, XLogP of -2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59059867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).