zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)

C14H26O16Zn — CID 73357728

IUPACzinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
SMILESO=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn+2]
InChIInChI=1S/2C7H14O8.Zn/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
InChIKeyOSNZINYBJQTKQS-KMRXSBRUSA-L
MW515.74 g/mol
LogP-10.94
Rot. Bonds12

About zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)

zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) (PubChem CID 73357728) has the molecular formula C14H26O16Zn and a molecular weight of 515.74 g/mol. Its IUPAC name is zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate).

Molecular Properties

Compound Namezinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
PubChem CID73357728
Molecular FormulaC14H26O16Zn
Molecular Weight515.74 g/mol
Exact Mass514.05
IUPAC Namezinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
SMILESO=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn+2]
InChIInChI=1S/2C7H14O8.Zn/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
InChIKeyOSNZINYBJQTKQS-KMRXSBRUSA-L
XLogP-10.94
TPSA323.02 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 5-10.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)?
The IUPAC name of zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) (CID 73357728) is zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate).
What is the SMILES notation for zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)?
The canonical SMILES for zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) is O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn+2].
What is the InChIKey of zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)?
The InChIKey is OSNZINYBJQTKQS-KMRXSBRUSA-L. The full InChI is InChI=1S/2C7H14O8.Zn/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1.
What are the key properties of zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)?
zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) has a molecular weight of 515.74 g/mol, XLogP of -10.94, 12 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) is sourced from PubChem (CID 73357728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).