sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium

C10H18NaO6P — CID 101178419

About sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium

sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium (PubChem CID 101178419) has the molecular formula C10H18NaO6P and a molecular weight of 288.21 g/mol. Its IUPAC name is sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium.

Molecular Properties

• Compound Name: sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium
• PubChem CID: 101178419
• Molecular Formula: C10H18NaO6P
• Molecular Weight: 288.21 g/mol
• Exact Mass: 288.07
• IUPAC Name: sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium
• SMILES: CO[C@@H]1O[C@H](CC[PH+]([O-])[O-])[C@H]2OC(C)(C)O[C@@H]12.[Na+]
• InChI: InChI=1S/C10H18O6P.Na/c1-10(2)15-7-6(4-5-17(11)12)14-9(13-3)8(7)16-10;/h6-9,17H,4-5H2,1-3H3;/q-1;+1/t6-,7-,8-,9-;/m1./s1
• InChIKey: XPACTWAHIBIBGI-SHJDMIRESA-N
• XLogP: -3.96
• TPSA: 83.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.21
LogP ≤ 5	-3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium?

The IUPAC name of sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium (CID 101178419) is sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium.

What is the SMILES notation for sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium?

The canonical SMILES for sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium is CO[C@@H]1O[C@H](CC[PH+]([O-])[O-])[C@H]2OC(C)(C)O[C@@H]12.[Na+].

What is the InChIKey of sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium?

The InChIKey is XPACTWAHIBIBGI-SHJDMIRESA-N. The full InChI is InChI=1S/C10H18O6P.Na/c1-10(2)15-7-6(4-5-17(11)12)14-9(13-3)8(7)16-10;/h6-9,17H,4-5H2,1-3H3;/q-1;+1/t6-,7-,8-,9-;/m1./s1.

What are the key properties of sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium?

sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium has a molecular weight of 288.21 g/mol, XLogP of -3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium is sourced from PubChem (CID 101178419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).