aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

C6H11AlO7+2 — CID 21124159

IUPACaluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Al+3]
InChIInChI=1S/C6H12O7.Al/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+3/p-1/t2-,3-,4+,5-;/m1./s1
InChIKeyOYHAPNSRJBPHAR-JJKGCWMISA-M
MW222.13 g/mol
LogP-5.21
Rot. Bonds5

About aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 21124159) has the molecular formula C6H11AlO7+2 and a molecular weight of 222.13 g/mol. Its IUPAC name is aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Namealuminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID21124159
Molecular FormulaC6H11AlO7+2
Molecular Weight222.13 g/mol
Exact Mass222.03
IUPAC Namealuminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Al+3]
InChIInChI=1S/C6H12O7.Al/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+3/p-1/t2-,3-,4+,5-;/m1./s1
InChIKeyOYHAPNSRJBPHAR-JJKGCWMISA-M
XLogP-5.21
TPSA141.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 5-5.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)
CID 21119759
calcium bis((2S,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 21118492

Frequently Asked Questions

What is the IUPAC name of aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (CID 21124159) is aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Al+3].
What is the InChIKey of aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is OYHAPNSRJBPHAR-JJKGCWMISA-M. The full InChI is InChI=1S/C6H12O7.Al/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+3/p-1/t2-,3-,4+,5-;/m1./s1.
What are the key properties of aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 222.13 g/mol, XLogP of -5.21, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 21124159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).