2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid

C10H14Cl2O8Sn — CID 71388022

IUPAC2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)[Sn](Cl)(Cl)C(CCC(=O)O)C(=O)O
InChIInChI=1S/2C5H7O4.2ClH.Sn/c2*6-4(7)2-1-3-5(8)9;;;/h2*2H,1,3H2,(H,6,7)(H,8,9);2*1H;/q;;;;+2/p-2
InChIKeyORMXZOFGTBMVTF-UHFFFAOYSA-L
MW451.83 g/mol
LogP1.55
Rot. Bonds10

About 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid

2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid (PubChem CID 71388022) has the molecular formula C10H14Cl2O8Sn and a molecular weight of 451.83 g/mol. Its IUPAC name is 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid.

Molecular Properties

Compound Name2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid
PubChem CID71388022
Molecular FormulaC10H14Cl2O8Sn
Molecular Weight451.83 g/mol
Exact Mass451.91
IUPAC Name2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)[Sn](Cl)(Cl)C(CCC(=O)O)C(=O)O
InChIInChI=1S/2C5H7O4.2ClH.Sn/c2*6-4(7)2-1-3-5(8)9;;;/h2*2H,1,3H2,(H,6,7)(H,8,9);2*1H;/q;;;;+2/p-2
InChIKeyORMXZOFGTBMVTF-UHFFFAOYSA-L
XLogP1.55
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.83
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-4-hydroxybutanoic acid
CID 87098344
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
sodium;2-chloropentanedioic acid;hydride
CID 173293436
1-phosphanylbutane-1,2,4-tricarboxylic acid
CID 15549084
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2S)-2-sulfanylpentanedioic acid
CID 87305291
2-aminopentanedioic acid
CID 611
[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid?
The IUPAC name of 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid (CID 71388022) is 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid.
What is the SMILES notation for 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid?
The canonical SMILES for 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid is O=C(O)CCC(C(=O)O)[Sn](Cl)(Cl)C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid?
The InChIKey is ORMXZOFGTBMVTF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H7O4.2ClH.Sn/c2*6-4(7)2-1-3-5(8)9;;;/h2*2H,1,3H2,(H,6,7)(H,8,9);2*1H;/q;;;;+2/p-2.
What are the key properties of 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid?
2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid has a molecular weight of 451.83 g/mol, XLogP of 1.55, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(1,3-dicarboxypropyl)stannyl]pentanedioic acid is sourced from PubChem (CID 71388022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).