CID 159425404

C6H9NNa3O6 — CID 159425404

IUPAC—
SMILESCC(=O)ON(OC(C)=O)OC(C)=O.[Na].[Na].[Na]
InChIInChI=1S/C6H9NO6.3Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;;;/h1-3H3;;;
InChIKeyLQHBCYMGQHMLPC-UHFFFAOYSA-N
MW260.11 g/mol
LogP-1.42
Rot. Bonds3

About CID 159425404

CID 159425404 (PubChem CID 159425404) has the molecular formula C6H9NNa3O6 and a molecular weight of 260.11 g/mol.

Molecular Properties

Compound NameCID 159425404
PubChem CID159425404
Molecular FormulaC6H9NNa3O6
Molecular Weight260.11 g/mol
Exact Mass260.01
IUPAC Name—
SMILESCC(=O)ON(OC(C)=O)OC(C)=O.[Na].[Na].[Na]
InChIInChI=1S/C6H9NO6.3Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;;;/h1-3H3;;;
InChIKeyLQHBCYMGQHMLPC-UHFFFAOYSA-N
XLogP-1.42
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
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CID 159985177
CID 159985177
[amino-(diacetyloxyamino)amino] acetate
CID 175234338
[bis(1-hydroxyethyl)amino] acetate
CID 57208315
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
methyl acetate;ruthenium
CID 160799101
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
[(2-chloroacetyl)-methylamino] acetate
CID 87814077
[diacetyloxy(hydroxy)silyl] acetate
CID 22770267

Frequently Asked Questions

What is the IUPAC name of CID 159425404?
The IUPAC name of CID 159425404 (CID 159425404) is not available.
What is the SMILES notation for CID 159425404?
The canonical SMILES for CID 159425404 is CC(=O)ON(OC(C)=O)OC(C)=O.[Na].[Na].[Na].
What is the InChIKey of CID 159425404?
The InChIKey is LQHBCYMGQHMLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.3Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;;;/h1-3H3;;;.
What are the key properties of CID 159425404?
CID 159425404 has a molecular weight of 260.11 g/mol, XLogP of -1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159425404 is sourced from PubChem (CID 159425404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).