ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate

C8H17O7P — CID 57217162

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate
SMILESCCOC(=O)CP(O)(O)(O)CC(=O)OCC
InChIInChI=1S/C8H17O7P/c1-3-14-7(9)5-16(11,12,13)6-8(10)15-4-2/h11-13H,3-6H2,1-2H3
InChIKeyTWRZMOVZWZJNFX-UHFFFAOYSA-N
MW256.19 g/mol
LogP-0.61
Rot. Bonds6

About ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate (PubChem CID 57217162) has the molecular formula C8H17O7P and a molecular weight of 256.19 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate
PubChem CID57217162
Molecular FormulaC8H17O7P
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate
SMILESCCOC(=O)CP(O)(O)(O)CC(=O)OCC
InChIInChI=1S/C8H17O7P/c1-3-14-7(9)5-16(11,12,13)6-8(10)15-4-2/h11-13H,3-6H2,1-2H3
InChIKeyTWRZMOVZWZJNFX-UHFFFAOYSA-N
XLogP-0.61
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
ethyl propanoate;methane
CID 161360642
diethyl propanedioate;titanium
CID 174779178
alumane;ethyl propanoate
CID 174257559
ethyl 2-aminoacetate
CID 45039361
diethyl propanedioate;ethane
CID 123991095
ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate
CID 141475326
butane;diethyl propanedioate
CID 87110467
ethyl butanoate
CID 7762
ethyl 2-chloroacetate
CID 7751
calcium;ethyl propanoate;hydride
CID 173132885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate (CID 57217162) is ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate is CCOC(=O)CP(O)(O)(O)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate?
The InChIKey is TWRZMOVZWZJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O7P/c1-3-14-7(9)5-16(11,12,13)6-8(10)15-4-2/h11-13H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate has a molecular weight of 256.19 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate is sourced from PubChem (CID 57217162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).