manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

C12H22MnO14 — CID 22988

IUPACmanganese(2+);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.[Mn+2]
InChIInChI=1S/2C6H12O7.Mn/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
InChIKeyOXHQNTSSPHKCPB-IYEMJOQQSA-L
MW445.23 g/mol
LogP-9.66
Rot. Bonds10

About manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (PubChem CID 22988) has the molecular formula C12H22MnO14 and a molecular weight of 445.23 g/mol. Its IUPAC name is manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).

Molecular Properties

Compound Namemanganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
PubChem CID22988
Molecular FormulaC12H22MnO14
Molecular Weight445.23 g/mol
Exact Mass445.04
IUPAC Namemanganese(2+);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.[Mn+2]
InChIInChI=1S/2C6H12O7.Mn/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
InChIKeyOXHQNTSSPHKCPB-IYEMJOQQSA-L
XLogP-9.66
TPSA282.56 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500445.23
LogP ≤ 5-9.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

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

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Related Compounds

Gluconic Acid
CID 10690
Galactaric acid
CID 3037582
Bis(D-gluconato-kappaO1,kappaO2)copper
CID 10692
Invert Sugar
CID 21924868
Gluconic acid, monopotassium salt
CID 16760467
Calcium Gluconate
CID 9290
Glucaric Acid
CID 33037
Ferrous Gluconate
CID 23616740
Sodium Gluconate
CID 23672301
Galacturonic Acid
CID 84740
2,3,4,5,6-Pentahydroxyhexanoic acid
CID 604
Calcium glucoheptonate
CID 62859

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The IUPAC name of manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (CID 22988) is manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).
What is the SMILES notation for manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The canonical SMILES for manganese(2+);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.[Mn+2].
What is the InChIKey of manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The InChIKey is OXHQNTSSPHKCPB-IYEMJOQQSA-L. The full InChI is InChI=1S/2C6H12O7.Mn/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 manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) has a molecular weight of 445.23 g/mol, XLogP of -9.66, 10 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is sourced from PubChem (CID 22988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).