[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

C11H20B2O6P2 — CID 167567384

About [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 167567384) has the molecular formula C11H20B2O6P2 and a molecular weight of 331.85 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

• Compound Name: [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
• PubChem CID: 167567384
• Molecular Formula: C11H20B2O6P2
• Molecular Weight: 331.85 g/mol
• Exact Mass: 332.09
• IUPAC Name: [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
• SMILES: CB(C[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1B(C)P=O)P=O
• InChI: InChI=1S/C11H20B2O6P2/c1-10(2)17-7-8(13(4)21-16)11(6-14,5-12(3)20-15)19-9(7)18-10/h7-9,14H,5-6H2,1-4H3/t7-,8+,9+,11+/m1/s1
• InChIKey: PBIOJGPNBRFLFM-HJGDQZAQSA-N
• XLogP: 2.42
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.85
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The IUPAC name of [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (CID 167567384) is [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

What is the SMILES notation for [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The canonical SMILES for [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is CB(C[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1B(C)P=O)P=O.

What is the InChIKey of [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The InChIKey is PBIOJGPNBRFLFM-HJGDQZAQSA-N. The full InChI is InChI=1S/C11H20B2O6P2/c1-10(2)17-7-8(13(4)21-16)11(6-14,5-12(3)20-15)19-9(7)18-10/h7-9,14H,5-6H2,1-4H3/t7-,8+,9+,11+/m1/s1.

What are the key properties of [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 331.85 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 167567384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).