(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane

C14H30O7P2 — CID 145422347

IUPAC(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
SMILESCCOP(=O)(C[C@@H]1CC[C@@H](CP(=O)(OCC)OCC)O1)OCC
InChIInChI=1S/C14H30O7P2/c1-5-17-22(15,18-6-2)11-13-9-10-14(21-13)12-23(16,19-7-3)20-8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyJPSPMGKSBWIOEF-KBPBESRZSA-N
MW372.34 g/mol
LogP4.07
Rot. Bonds12

About (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane

(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane (PubChem CID 145422347) has the molecular formula C14H30O7P2 and a molecular weight of 372.34 g/mol. Its IUPAC name is (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane.

Molecular Properties

Compound Name(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
PubChem CID145422347
Molecular FormulaC14H30O7P2
Molecular Weight372.34 g/mol
Exact Mass372.15
IUPAC Name(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
SMILESCCOP(=O)(C[C@@H]1CC[C@@H](CP(=O)(OCC)OCC)O1)OCC
InChIInChI=1S/C14H30O7P2/c1-5-17-22(15,18-6-2)11-13-9-10-14(21-13)12-23(16,19-7-3)20-8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyJPSPMGKSBWIOEF-KBPBESRZSA-N
XLogP4.07
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methanol
CID 72564123
1-(diethoxyphosphorylmethyl)-4-methylcyclohexane
CID 22976302
(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
CID 134998390
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673
(1S,5R,6R,8R)-9-(diethoxyphosphorylmethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 57342897
2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
CID 132991854
2-[2-(diethoxyphosphorylmethyl)cyclopentyl]acetonitrile
CID 54096254
4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine
CID 71661861
2-[ethoxy(ethyl)phosphoryl]oxyoxirane
CID 57290698
N-diethoxyphosphorylcyclopentanamine
CID 14195307
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
CID 71511611

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane?
The IUPAC name of (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane (CID 145422347) is (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane.
What is the SMILES notation for (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane?
The canonical SMILES for (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane is CCOP(=O)(C[C@@H]1CC[C@@H](CP(=O)(OCC)OCC)O1)OCC.
What is the InChIKey of (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane?
The InChIKey is JPSPMGKSBWIOEF-KBPBESRZSA-N. The full InChI is InChI=1S/C14H30O7P2/c1-5-17-22(15,18-6-2)11-13-9-10-14(21-13)12-23(16,19-7-3)20-8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane?
(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane has a molecular weight of 372.34 g/mol, XLogP of 4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane is sourced from PubChem (CID 145422347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).