[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate

C11H21O6P — CID 22965006

IUPAC[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate
SMILESC=C(O)C1OC(C)CC1OP(=O)(O)OCC(C)C
InChIInChI=1S/C11H21O6P/c1-7(2)6-15-18(13,14)17-10-5-8(3)16-11(10)9(4)12/h7-8,10-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyFLQGGCIZDGLWMK-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.39
Rot. Bonds6

About [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate

[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate (PubChem CID 22965006) has the molecular formula C11H21O6P and a molecular weight of 280.26 g/mol. Its IUPAC name is [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate.

Molecular Properties

Compound Name[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate
PubChem CID22965006
Molecular FormulaC11H21O6P
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC Name[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate
SMILESC=C(O)C1OC(C)CC1OP(=O)(O)OCC(C)C
InChIInChI=1S/C11H21O6P/c1-7(2)6-15-18(13,14)17-10-5-8(3)16-11(10)9(4)12/h7-8,10-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyFLQGGCIZDGLWMK-UHFFFAOYSA-N
XLogP2.39
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 161335598
[(2R,3S,5S)-3-[[(2R,3S,5S)-3-[ethoxy(hydroxy)phosphoryl]oxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-methyloxolan-2-yl]methoxy-propan-2-ylphosphinic acid
CID 157280642
[(2R,3S,5S)-2-[hydroxy(methyl)phosphoryl]oxy-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 118490859
[(2R,5S)-2-[[butoxy(hydroxy)phosphoryl]oxymethyl]-5-methyloxolan-3-yl] butyl hydrogen phosphate
CID 163761070
[(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,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
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
[[3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl]oxy-hydroxyphosphoryl] 5-methyl-3-propan-2-yloxyoxolane-2-carboxylate
CID 22965140
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914417
[2-(dihydroxyphosphanyloxymethyl)-5-methyloxolan-3-yl] heptyl hydrogen phosphate;ethane
CID 91250812
[(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
2-nitrosobutyl (2,3,4,5-tetrahydroxycyclohexyl) hydrogen phosphate
CID 91159955

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate?
The IUPAC name of [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate (CID 22965006) is [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate.
What is the SMILES notation for [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate?
The canonical SMILES for [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate is C=C(O)C1OC(C)CC1OP(=O)(O)OCC(C)C.
What is the InChIKey of [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate?
The InChIKey is FLQGGCIZDGLWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O6P/c1-7(2)6-15-18(13,14)17-10-5-8(3)16-11(10)9(4)12/h7-8,10-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate?
[2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate has a molecular weight of 280.26 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethenyl)-5-methyloxolan-3-yl] 2-methylpropyl hydrogen phosphate is sourced from PubChem (CID 22965006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).