[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate

C19H34O9P- — CID 22965103

IUPAC[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate
SMILESCC1CC(OP(=O)([O-])OC(=O)C2OC(C)CC2OC(C)C)C(O)(COC(C)C)C1
InChIInChI=1S/C19H35O9P/c1-11(2)24-10-19(21)9-13(5)7-16(19)27-29(22,23)28-18(20)17-15(25-12(3)4)8-14(6)26-17/h11-17,21H,7-10H2,1-6H3,(H,22,23)/p-1
InChIKeyFAZSMGWCZOOTMH-UHFFFAOYSA-M
MW437.45 g/mol
LogP1.94
Rot. Bonds9

About [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate

[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate (PubChem CID 22965103) has the molecular formula C19H34O9P- and a molecular weight of 437.45 g/mol. Its IUPAC name is [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate.

Molecular Properties

Compound Name[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate
PubChem CID22965103
Molecular FormulaC19H34O9P-
Molecular Weight437.45 g/mol
Exact Mass437.19
IUPAC Name[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate
SMILESCC1CC(OP(=O)([O-])OC(=O)C2OC(C)CC2OC(C)C)C(O)(COC(C)C)C1
InChIInChI=1S/C19H35O9P/c1-11(2)24-10-19(21)9-13(5)7-16(19)27-29(22,23)28-18(20)17-15(25-12(3)4)8-14(6)26-17/h11-17,21H,7-10H2,1-6H3,(H,22,23)/p-1
InChIKeyFAZSMGWCZOOTMH-UHFFFAOYSA-M
XLogP1.94
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate?
The IUPAC name of [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate (CID 22965103) is [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate.
What is the SMILES notation for [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate?
The canonical SMILES for [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate is CC1CC(OP(=O)([O-])OC(=O)C2OC(C)CC2OC(C)C)C(O)(COC(C)C)C1.
What is the InChIKey of [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate?
The InChIKey is FAZSMGWCZOOTMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H35O9P/c1-11(2)24-10-19(21)9-13(5)7-16(19)27-29(22,23)28-18(20)17-15(25-12(3)4)8-14(6)26-17/h11-17,21H,7-10H2,1-6H3,(H,22,23)/p-1.
What are the key properties of [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate?
[2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate has a molecular weight of 437.45 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] (5-methyl-3-propan-2-yloxyoxolane-2-carbonyl) phosphate is sourced from PubChem (CID 22965103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).