(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate

C7H17O6P — CID 59083652

IUPAC(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
SMILESCCOC(COC)COP(=O)(O)OC
InChIInChI=1S/C7H17O6P/c1-4-12-7(5-10-2)6-13-14(8,9)11-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyPDWGJYGVCRCHMG-UHFFFAOYSA-N
MW228.18 g/mol
LogP0.80
Rot. Bonds8

About (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate

(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate (PubChem CID 59083652) has the molecular formula C7H17O6P and a molecular weight of 228.18 g/mol. Its IUPAC name is (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate.

Molecular Properties

Compound Name(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
PubChem CID59083652
Molecular FormulaC7H17O6P
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
SMILESCCOC(COC)COP(=O)(O)OC
InChIInChI=1S/C7H17O6P/c1-4-12-7(5-10-2)6-13-14(8,9)11-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyPDWGJYGVCRCHMG-UHFFFAOYSA-N
XLogP0.80
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
2-ethoxy-1,4-dimethoxybutane
CID 87963215
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
CID 90329165
[(2R)-2-(cyclohexylmethoxy)-3-octadecoxypropyl] methyl hydrogen phosphate
CID 168874415
CID 134970289
CID 134970289
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
bis((2S)-2-(dimethoxyphosphorylmethoxy)-1-methoxybutane);(1R)-1-(dimethoxyphosphorylmethoxy)-1-methylperoxypropane
CID 160912202
3-ethoxy-1,5-dimethoxypentane
CID 20810650
N-[2-[2,3-diethoxypropoxy(methoxy)phosphoryl]oxyethyl]-N-dimethylboronamidic acid
CID 22946990

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate?
The IUPAC name of (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate (CID 59083652) is (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate.
What is the SMILES notation for (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate?
The canonical SMILES for (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate is CCOC(COC)COP(=O)(O)OC.
What is the InChIKey of (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate?
The InChIKey is PDWGJYGVCRCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O6P/c1-4-12-7(5-10-2)6-13-14(8,9)11-3/h7H,4-6H2,1-3H3,(H,8,9).
What are the key properties of (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate?
(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate has a molecular weight of 228.18 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate is sourced from PubChem (CID 59083652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).