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

C19H34O9P- — CID 59905689

IUPAC[(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@H]1C(OP(=O)([O-])OC(=O)[C@H]2O[C@@H](C)CC2OC(C)C)C[C@H](C)C1O
InChIInChI=1S/C19H35O9P/c1-10(2)24-9-14-15(7-12(5)17(14)20)27-29(22,23)28-19(21)18-16(25-11(3)4)8-13(6)26-18/h10-18,20H,7-9H2,1-6H3,(H,22,23)/p-1/t12-,13-,14+,15?,16?,17?,18-/m0/s1
InChIKeyLCLPPRFQYNMSDB-UAGOPZDESA-M
MW437.45 g/mol
LogP1.80
Rot. Bonds9

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

[(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (PubChem CID 59905689) has the molecular formula C19H34O9P- and a molecular weight of 437.45 g/mol. Its IUPAC name is [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

Molecular Properties

Compound Name[(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
PubChem CID59905689
Molecular FormulaC19H34O9P-
Molecular Weight437.45 g/mol
Exact Mass437.19
IUPAC Name[(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@H]1C(OP(=O)([O-])OC(=O)[C@H]2O[C@@H](C)CC2OC(C)C)C[C@H](C)C1O
InChIInChI=1S/C19H35O9P/c1-10(2)24-9-14-15(7-12(5)17(14)20)27-29(22,23)28-19(21)18-16(25-11(3)4)8-13(6)26-18/h10-18,20H,7-9H2,1-6H3,(H,22,23)/p-1/t12-,13-,14+,15?,16?,17?,18-/m0/s1
InChIKeyLCLPPRFQYNMSDB-UAGOPZDESA-M
XLogP1.80
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 ≤ 51.80
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 [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The IUPAC name of [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (CID 59905689) is [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.
What is the SMILES notation for [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The canonical SMILES for [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is CC(C)OC[C@@H]1C(OP(=O)([O-])OC(=O)[C@H]2O[C@@H](C)CC2OC(C)C)C[C@H](C)C1O.
What is the InChIKey of [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The InChIKey is LCLPPRFQYNMSDB-UAGOPZDESA-M. The full InChI is InChI=1S/C19H35O9P/c1-10(2)24-9-14-15(7-12(5)17(14)20)27-29(22,23)28-19(21)18-16(25-11(3)4)8-13(6)26-18/h10-18,20H,7-9H2,1-6H3,(H,22,23)/p-1/t12-,13-,14+,15?,16?,17?,18-/m0/s1.
What are the key properties of [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
[(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate has a molecular weight of 437.45 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-3-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is sourced from PubChem (CID 59905689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).