CID 158128480

C10H20N2Na2O8Zn — CID 158128480

IUPAC—
SMILESCC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].[Na].[Zn]
InChIInChI=1S/C6H10O4.2C2H5NO2.2Na.Zn/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;;;/h3-4H2,1-2H3;2*3H2,1H3;;;
InChIKeyFSLYKYKSBUGVAY-UHFFFAOYSA-N
MW407.65 g/mol
LogP-1.81
Rot. Bonds3

About CID 158128480

CID 158128480 (PubChem CID 158128480) has the molecular formula C10H20N2Na2O8Zn and a molecular weight of 407.65 g/mol.

Molecular Properties

Compound NameCID 158128480
PubChem CID158128480
Molecular FormulaC10H20N2Na2O8Zn
Molecular Weight407.65 g/mol
Exact Mass406.03
IUPAC Name—
SMILESCC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].[Na].[Zn]
InChIInChI=1S/C6H10O4.2C2H5NO2.2Na.Zn/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;;;/h3-4H2,1-2H3;2*3H2,1H3;;;
InChIKeyFSLYKYKSBUGVAY-UHFFFAOYSA-N
XLogP-1.81
TPSA157.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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amino acetate;butane
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CID 87510767
2-acetyloxyethyl acetate;hexane
CID 137406148
magnesium;amino acetate;hydride
CID 173289469
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CID 87784419
cyclopropane;2-methoxyethyl acetate
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CID 23371206
CID 23371206

Frequently Asked Questions

What is the IUPAC name of CID 158128480?
The IUPAC name of CID 158128480 (CID 158128480) is not available.
What is the SMILES notation for CID 158128480?
The canonical SMILES for CID 158128480 is CC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].[Na].[Zn].
What is the InChIKey of CID 158128480?
The InChIKey is FSLYKYKSBUGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C2H5NO2.2Na.Zn/c1-5(7)9-3-4-10-6(2)8;2*1-2(4)5-3;;;/h3-4H2,1-2H3;2*3H2,1H3;;;.
What are the key properties of CID 158128480?
CID 158128480 has a molecular weight of 407.65 g/mol, XLogP of -1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158128480 is sourced from PubChem (CID 158128480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).