hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane

C4H6Na6O12P4 — CID 10907319

About hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane

hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane (PubChem CID 10907319) has the molecular formula C4H6Na6O12P4 and a molecular weight of 507.92 g/mol. Its IUPAC name is hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane.

Molecular Properties

• Compound Name: hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane
• PubChem CID: 10907319
• Molecular Formula: C4H6Na6O12P4
• Molecular Weight: 507.92 g/mol
• Exact Mass: 507.82
• IUPAC Name: hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane
• SMILES: CC1(P(=O)([O-])[O-])OP(=O)([O-])C(C)(P(=O)([O-])[O-])OP1(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C4H12O12P4.6Na/c1-3(17(5,6)7)15-20(13,14)4(2,18(8,9)10)16-19(3,11)12;;;;;;/h1-2H3,(H,11,12)(H,13,14)(H2,5,6,7)(H2,8,9,10);;;;;;/q;6*+1/p-6
• InChIKey: KKBIDYXMVJOBEZ-UHFFFAOYSA-H
• XLogP: -21.66
• TPSA: 225.10 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.92
LogP ≤ 5	-21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane?

The IUPAC name of hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane (CID 10907319) is hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane.

What is the SMILES notation for hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane?

The canonical SMILES for hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane is CC1(P(=O)([O-])[O-])OP(=O)([O-])C(C)(P(=O)([O-])[O-])OP1(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane?

The InChIKey is KKBIDYXMVJOBEZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C4H12O12P4.6Na/c1-3(17(5,6)7)15-20(13,14)4(2,18(8,9)10)16-19(3,11)12;;;;;;/h1-2H3,(H,11,12)(H,13,14)(H2,5,6,7)(H2,8,9,10);;;;;;/q;6*+1/p-6.

What are the key properties of hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane?

hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane has a molecular weight of 507.92 g/mol, XLogP of -21.66, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for hexasodium;(3,6-dimethyl-2,5-dioxido-2,5-dioxo-6-phosphonato-1,4,2λ5,5λ5-dioxadiphosphinan-3-yl)-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 10907319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).