[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

C19H35O9P — CID 59991591

IUPAC[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)(O)OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C
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)/t13-,14-,15?,16+,17-,19-/m0/s1
InChIKeyFAZSMGWCZOOTMH-ZAHTTXRBSA-N
MW438.45 g/mol
LogP2.57
Rot. Bonds9

About [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (PubChem CID 59991591) has the molecular formula C19H35O9P and a molecular weight of 438.45 g/mol. Its IUPAC name is [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.

Molecular Properties

Compound Name[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
PubChem CID59991591
Molecular FormulaC19H35O9P
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)(O)OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C
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)/t13-,14-,15?,16+,17-,19-/m0/s1
InChIKeyFAZSMGWCZOOTMH-ZAHTTXRBSA-N
XLogP2.57
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The IUPAC name of [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (CID 59991591) is [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.
What is the SMILES notation for [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The canonical SMILES for [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is CC(C)OC[C@@]1(O)C[C@@H](C)C[C@H]1OP(=O)(O)OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C.
What is the InChIKey of [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The InChIKey is FAZSMGWCZOOTMH-ZAHTTXRBSA-N. 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)/t13-,14-,15?,16+,17-,19-/m0/s1.
What are the key properties of [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
[hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate has a molecular weight of 438.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxyphosphoryl] (2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is sourced from PubChem (CID 59991591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).