CID 59000469

C6H5O5W6- — CID 59000469

IUPAC—
SMILESCC(=O)OCc1[c-]oc(=O)o1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H5O5.6W/c1-4(7)9-2-5-3-10-6(8)11-5;;;;;;/h2H2,1H3;;;;;;/q-1;;;;;;
InChIKeyPGYPNZKBCGRDGG-UHFFFAOYSA-N
MW1260.14 g/mol
LogP0.08
Rot. Bonds2

About CID 59000469

CID 59000469 (PubChem CID 59000469) has the molecular formula C6H5O5W6- and a molecular weight of 1260.14 g/mol.

Molecular Properties

Compound NameCID 59000469
PubChem CID59000469
Molecular FormulaC6H5O5W6-
Molecular Weight1260.14 g/mol
Exact Mass1260.72
IUPAC Name—
SMILESCC(=O)OCc1[c-]oc(=O)o1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H5O5.6W/c1-4(7)9-2-5-3-10-6(8)11-5;;;;;;/h2H2,1H3;;;;;;/q-1;;;;;;
InChIKeyPGYPNZKBCGRDGG-UHFFFAOYSA-N
XLogP0.08
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001260.14
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,6,7-tris(acetyloxymethyl)-1,4,5,8-tetrahydronaphthalen-2-yl]methyl acetate
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ethyl acetate;oxoplatinum
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[3,5,7-tris(acetyloxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methyl acetate
CID 73449970
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(5-methyl-1,3-dioxol-4-yl)methyl acetate
CID 163804713
[5-[(4-ethylphenyl)methyl]-2-oxo-1,3-dioxol-4-yl]methyl acetate
CID 71048131
(2-methylfuran-3-yl)methyl acetate
CID 71480019
(5-bromo-2-chloro-4-methylphenyl)methyl acetate
CID 89492645
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
cyclobut-3-ene-1,2-dione;ethyl acetate
CID 160724894
(3,4,5-triacetyloxyfuran-2-yl)methyl acetate
CID 154473273

Frequently Asked Questions

What is the IUPAC name of CID 59000469?
The IUPAC name of CID 59000469 (CID 59000469) is not available.
What is the SMILES notation for CID 59000469?
The canonical SMILES for CID 59000469 is CC(=O)OCc1[c-]oc(=O)o1.[W].[W].[W].[W].[W].[W].
What is the InChIKey of CID 59000469?
The InChIKey is PGYPNZKBCGRDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O5.6W/c1-4(7)9-2-5-3-10-6(8)11-5;;;;;;/h2H2,1H3;;;;;;/q-1;;;;;;.
What are the key properties of CID 59000469?
CID 59000469 has a molecular weight of 1260.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59000469 is sourced from PubChem (CID 59000469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).