[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium

C10H20O6PS2+ — CID 173268073

IUPAC[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium
SMILESCCC(C(=O)O)C(CC)(C(=O)O)S(OC)(OC)[PH+]=S
InChIInChI=1S/C10H19O6PS2/c1-5-7(8(11)12)10(6-2,9(13)14)19(15-3,16-4)17-18/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/p+1
InChIKeyKAMHPLSXYQVIQJ-UHFFFAOYSA-O
MW331.37 g/mol
LogP2.31
Rot. Bonds9

About [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium

[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium (PubChem CID 173268073) has the molecular formula C10H20O6PS2+ and a molecular weight of 331.37 g/mol. Its IUPAC name is [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium
PubChem CID173268073
Molecular FormulaC10H20O6PS2+
Molecular Weight331.37 g/mol
Exact Mass331.04
IUPAC Name[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium
SMILESCCC(C(=O)O)C(CC)(C(=O)O)S(OC)(OC)[PH+]=S
InChIInChI=1S/C10H19O6PS2/c1-5-7(8(11)12)10(6-2,9(13)14)19(15-3,16-4)17-18/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/p+1
InChIKeyKAMHPLSXYQVIQJ-UHFFFAOYSA-O
XLogP2.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium 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

2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
CID 158949436
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
azane;3-ethyl-2-hexyl-2-sulfobutanedioic acid
CID 174630918
3-ethoxycarbonyl-2,3-diethylpentanoic acid
CID 89049085
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
2,3-diethyl-3-hydroxyheptanoic acid
CID 57207381
potassium;sodium;2-carboxy-2-(1-carboxypropyl)propanedioate
CID 160908994
hexane-1,1,1,2,2,3,3,4-octacarboxylic acid
CID 175780179
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
3,3-bis(butylperoxy)-2-ethylbutanoic acid
CID 23200609

Frequently Asked Questions

What is the IUPAC name of [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium?
The IUPAC name of [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium (CID 173268073) is [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium.
What is the SMILES notation for [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium?
The canonical SMILES for [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium is CCC(C(=O)O)C(CC)(C(=O)O)S(OC)(OC)[PH+]=S.
What is the InChIKey of [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium?
The InChIKey is KAMHPLSXYQVIQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19O6PS2/c1-5-7(8(11)12)10(6-2,9(13)14)19(15-3,16-4)17-18/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)/p+1.
What are the key properties of [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium?
[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium has a molecular weight of 331.37 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium is sourced from PubChem (CID 173268073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).