(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane

C12H24O5P- — CID 167605809

IUPAC(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane
SMILES[CH2-]P(=O)(OC(C)C)OC1CCO[C@@H]1COC(C)C
InChIInChI=1S/C12H24O5P/c1-9(2)15-8-12-11(6-7-14-12)17-18(5,13)16-10(3)4/h9-12H,5-8H2,1-4H3/q-1/t11?,12-,18?/m1/s1
InChIKeyKJBOJGOFUAFCPS-BJCXPLBRSA-N
MW279.29 g/mol
LogP3.00
Rot. Bonds7

About (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane

(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane (PubChem CID 167605809) has the molecular formula C12H24O5P- and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane.

Molecular Properties

Compound Name(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane
PubChem CID167605809
Molecular FormulaC12H24O5P-
Molecular Weight279.29 g/mol
Exact Mass279.14
IUPAC Name(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane
SMILES[CH2-]P(=O)(OC(C)C)OC1CCO[C@@H]1COC(C)C
InChIInChI=1S/C12H24O5P/c1-9(2)15-8-12-11(6-7-14-12)17-18(5,13)16-10(3)4/h9-12H,5-8H2,1-4H3/q-1/t11?,12-,18?/m1/s1
InChIKeyKJBOJGOFUAFCPS-BJCXPLBRSA-N
XLogP3.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 153458816
[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 140824432
2-(propan-2-yloxymethyl)oxirane
CID 159998967
[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
CID 174118385
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
(4S,4aR,8R,8aR)-4,8-bis(propan-2-yloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 129155573
[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
CID 59991673
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
[(2R,3S,4R)-3,4-bis(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate
CID 121247498
CID 23390102
CID 23390102
CID 59539992
CID 59539992
[(2R,3S)-2-[[2-cyanoethoxy(ethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-cyanoethyl ethyl phosphate
CID 10789220

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane?
The IUPAC name of (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane (CID 167605809) is (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane.
What is the SMILES notation for (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane?
The canonical SMILES for (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane is [CH2-]P(=O)(OC(C)C)OC1CCO[C@@H]1COC(C)C.
What is the InChIKey of (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane?
The InChIKey is KJBOJGOFUAFCPS-BJCXPLBRSA-N. The full InChI is InChI=1S/C12H24O5P/c1-9(2)15-8-12-11(6-7-14-12)17-18(5,13)16-10(3)4/h9-12H,5-8H2,1-4H3/q-1/t11?,12-,18?/m1/s1.
What are the key properties of (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane?
(2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane has a molecular weight of 279.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[methanidyl(propan-2-yloxy)phosphoryl]oxy-2-(propan-2-yloxymethyl)oxolane is sourced from PubChem (CID 167605809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).