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

C12H22O14Sr — CID 23618905

IUPACstrontium bis((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.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sr+2]
InChIInChI=1S/2C6H12O7.Sr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
InChIKeyQRVYVKGHSWMAJI-IYEMJOQQSA-L
MW477.91 g/mol
LogP-10.04
Rot. Bonds10

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

strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (PubChem CID 23618905) has the molecular formula C12H22O14Sr and a molecular weight of 477.91 g/mol. Its IUPAC name is strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).

Molecular Properties

Compound Namestrontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
PubChem CID23618905
Molecular FormulaC12H22O14Sr
Molecular Weight477.91 g/mol
Exact Mass478.01
IUPAC Namestrontium bis((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.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sr+2]
InChIInChI=1S/2C6H12O7.Sr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
InChIKeyQRVYVKGHSWMAJI-IYEMJOQQSA-L
XLogP-10.04
TPSA282.56 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500477.91
LogP ≤ 5-10.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) with MolForge

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Related Compounds

(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
CID 171700327
CID 171700327
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
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
aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 21124159
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
(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 strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The IUPAC name of strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (CID 23618905) is strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).
What is the SMILES notation for strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The canonical SMILES for strontium bis((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.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sr+2].
What is the InChIKey of strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The InChIKey is QRVYVKGHSWMAJI-IYEMJOQQSA-L. The full InChI is InChI=1S/2C6H12O7.Sr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1.
What are the key properties of strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) has a molecular weight of 477.91 g/mol, XLogP of -10.04, 10 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is sourced from PubChem (CID 23618905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).