[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

C19H36NO8P — CID 22965140

IUPAC[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OCC1C(OP(=O)(O)OC(=O)C2OC(C)CC2OC(C)C)CC(C)C1N
InChIInChI=1S/C19H36NO8P/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/h10-18H,7-9,20H2,1-6H3,(H,22,23)
InChIKeyLJPIPXBFOJAZGF-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.39
Rot. Bonds9

About [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate

[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (PubChem CID 22965140) has the molecular formula C19H36NO8P and a molecular weight of 437.47 g/mol. Its IUPAC name is [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.

Molecular Properties

Compound Name[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
PubChem CID22965140
Molecular FormulaC19H36NO8P
Molecular Weight437.47 g/mol
Exact Mass437.22
IUPAC Name[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
SMILESCC(C)OCC1C(OP(=O)(O)OC(=O)C2OC(C)CC2OC(C)C)CC(C)C1N
InChIInChI=1S/C19H36NO8P/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/h10-18H,7-9,20H2,1-6H3,(H,22,23)
InChIKeyLJPIPXBFOJAZGF-UHFFFAOYSA-N
XLogP2.39
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[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
[hydroxy-[2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 22965107
[(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
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59991690
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate
CID 59925342
[(1R,2R,4S)-2,3-dihydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] [(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59063471
[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methoxy-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
CID 59905678
(2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl)methoxy-[5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]sulfanylphosphinic acid
CID 22965159
[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
CID 59925353
[(1R,3S,5R)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
CID 59914594
[(1R,2S,4S)-2-hydroxy-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl hydrogen phosphate
CID 59991644

Frequently Asked Questions

What is the IUPAC name of [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The IUPAC name of [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate (CID 22965140) is [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate.
What is the SMILES notation for [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The canonical SMILES for [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is CC(C)OCC1C(OP(=O)(O)OC(=O)C2OC(C)CC2OC(C)C)CC(C)C1N.
What is the InChIKey of [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
The InChIKey is LJPIPXBFOJAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36NO8P/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/h10-18H,7-9,20H2,1-6H3,(H,22,23).
What are the key properties of [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate?
[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate is sourced from PubChem (CID 22965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).