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

C6H11O7Sn+ — CID 21119759

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sn+2]
InChIInChI=1S/C6H12O7.Sn/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+2/p-1/t2-,3-,4+,5-;/m1./s1
InChIKeyOUINMQZTASGPEN-JJKGCWMISA-M
MW313.86 g/mol
LogP-5.21
Rot. Bonds5

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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+) (PubChem CID 21119759) has the molecular formula C6H11O7Sn+ and a molecular weight of 313.86 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+).

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)
PubChem CID21119759
Molecular FormulaC6H11O7Sn+
Molecular Weight313.86 g/mol
Exact Mass314.95
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sn+2]
InChIInChI=1S/C6H12O7.Sn/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+2/p-1/t2-,3-,4+,5-;/m1./s1
InChIKeyOUINMQZTASGPEN-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 ≤ 500313.86
LogP ≤ 5-5.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

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
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
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
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
sodium;iron(3+);tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 56841898

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+) (CID 21119759) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+).
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+) is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Sn+2].
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)?
The InChIKey is OUINMQZTASGPEN-JJKGCWMISA-M. The full InChI is InChI=1S/C6H12O7.Sn/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+2/p-1/t2-,3-,4+,5-;/m1./s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+)?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+) has a molecular weight of 313.86 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 (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;tin(2+) is sourced from PubChem (CID 21119759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).