[[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride

C12H23FO11P3-3 — CID 163869365

About [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride

[[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride (PubChem CID 163869365) has the molecular formula C12H23FO11P3-3 and a molecular weight of 455.23 g/mol. Its IUPAC name is [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride.

Molecular Properties

• Compound Name: [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride
• PubChem CID: 163869365
• Molecular Formula: C12H23FO11P3-3
• Molecular Weight: 455.23 g/mol
• Exact Mass: 455.05
• IUPAC Name: [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride
• SMILES: CC1CC([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(C)[C@@H]2C)C1.F
• InChI: InChI=1S/C12H25O11P3.FH/c1-7-4-10(5-7)12-9(3)8(2)11(21-12)6-20-25(16,17)23-26(18,19)22-24(13,14)15;/h7-12H,4-6H2,1-3H3,(H,16,17)(H,18,19)(H2,13,14,15);1H/p-3/t7?,8?,9-,10?,11+,12+;/m0./s1
• InChIKey: PJLCZEHXDSGSCJ-VBISIYMTSA-K
• XLogP: 0.67
• TPSA: 177.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.23
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride?

The IUPAC name of [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride (CID 163869365) is [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride.

What is the SMILES notation for [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride?

The canonical SMILES for [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride is CC1CC([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)C(C)[C@@H]2C)C1.F.

What is the InChIKey of [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride?

The InChIKey is PJLCZEHXDSGSCJ-VBISIYMTSA-K. The full InChI is InChI=1S/C12H25O11P3.FH/c1-7-4-10(5-7)12-9(3)8(2)11(21-12)6-20-25(16,17)23-26(18,19)22-24(13,14)15;/h7-12H,4-6H2,1-3H3,(H,16,17)(H,18,19)(H2,13,14,15);1H/p-3/t7?,8?,9-,10?,11+,12+;/m0./s1.

What are the key properties of [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride?

[[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride has a molecular weight of 455.23 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [[[(2S,4S,5S)-3,4-dimethyl-5-(3-methylcyclobutyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrofluoride is sourced from PubChem (CID 163869365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).