[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

C18H32O10P- — CID 59905543

About [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (PubChem CID 59905543) has the molecular formula C18H32O10P- and a molecular weight of 439.42 g/mol. Its IUPAC name is [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

Molecular Properties

• Compound Name: [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
• PubChem CID: 59905543
• Molecular Formula: C18H32O10P-
• Molecular Weight: 439.42 g/mol
• Exact Mass: 439.17
• IUPAC Name: [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
• SMILES: CC(C)OC[C@H]1O[C@@H](C)C(O)C1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C
• InChI: InChI=1S/C18H33O10P/c1-9(2)23-8-14-16(15(19)12(6)26-14)27-29(21,22)28-18(20)17-13(24-10(3)4)7-11(5)25-17/h9-17,19H,7-8H2,1-6H3,(H,21,22)/p-1/t11-,12-,13?,14+,15?,16?,17-/m0/s1
• InChIKey: XZTBRJOKUQLPFI-OWBDIXMESA-M
• XLogP: 0.93
• TPSA: 132.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.42
LogP ≤ 5	0.93
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 [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The IUPAC name of [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (CID 59905543) is [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

What is the SMILES notation for [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The canonical SMILES for [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is CC(C)OC[C@H]1O[C@@H](C)C(O)C1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C.

What is the InChIKey of [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

The InChIKey is XZTBRJOKUQLPFI-OWBDIXMESA-M. The full InChI is InChI=1S/C18H33O10P/c1-9(2)23-8-14-16(15(19)12(6)26-14)27-29(21,22)28-18(20)17-13(24-10(3)4)7-11(5)25-17/h9-17,19H,7-8H2,1-6H3,(H,21,22)/p-1/t11-,12-,13?,14+,15?,16?,17-/m0/s1.

What are the key properties of [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?

[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate has a molecular weight of 439.42 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is sourced from PubChem (CID 59905543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).