ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate

C9H17O9P — CID 143021423

IUPACethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate
SMILESCCC1OC(=O)C(O)=C1OP(=O)(O)OC.OCCO
InChIInChI=1S/C7H11O7P.C2H6O2/c1-3-4-6(5(8)7(9)13-4)14-15(10,11)12-2;3-1-2-4/h4,8H,3H2,1-2H3,(H,10,11);3-4H,1-2H2
InChIKeyIZGAQTLLIQCZLY-UHFFFAOYSA-N
MW300.20 g/mol
LogP-0.17
Rot. Bonds5

About ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate

ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate (PubChem CID 143021423) has the molecular formula C9H17O9P and a molecular weight of 300.20 g/mol. Its IUPAC name is ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate.

Molecular Properties

Compound Nameethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate
PubChem CID143021423
Molecular FormulaC9H17O9P
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Nameethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate
SMILESCCC1OC(=O)C(O)=C1OP(=O)(O)OC.OCCO
InChIInChI=1S/C7H11O7P.C2H6O2/c1-3-4-6(5(8)7(9)13-4)14-15(10,11)12-2;3-1-2-4/h4,8H,3H2,1-2H3,(H,10,11);3-4H,1-2H2
InChIKeyIZGAQTLLIQCZLY-UHFFFAOYSA-N
XLogP-0.17
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate?
The IUPAC name of ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate (CID 143021423) is ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate.
What is the SMILES notation for ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate?
The canonical SMILES for ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate is CCC1OC(=O)C(O)=C1OP(=O)(O)OC.OCCO.
What is the InChIKey of ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate?
The InChIKey is IZGAQTLLIQCZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O7P.C2H6O2/c1-3-4-6(5(8)7(9)13-4)14-15(10,11)12-2;3-1-2-4/h4,8H,3H2,1-2H3,(H,10,11);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate?
ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate has a molecular weight of 300.20 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;(2-ethyl-4-hydroxy-5-oxo-2H-furan-3-yl) methyl hydrogen phosphate is sourced from PubChem (CID 143021423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).