2-hydroxyethyl dihydrogen phosphate;phosphoric acid

C2H10O9P2 — CID 155226574

IUPAC2-hydroxyethyl dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.H3O4P/c3-1-2-7-8(4,5)6;1-5(2,3)4/h3H,1-2H2,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyQEAFDSWULCUJSQ-UHFFFAOYSA-N
MW240.04 g/mol
LogP-1.84
Rot. Bonds3

About 2-hydroxyethyl dihydrogen phosphate;phosphoric acid

2-hydroxyethyl dihydrogen phosphate;phosphoric acid (PubChem CID 155226574) has the molecular formula C2H10O9P2 and a molecular weight of 240.04 g/mol. Its IUPAC name is 2-hydroxyethyl dihydrogen phosphate;phosphoric acid.

Molecular Properties

Compound Name2-hydroxyethyl dihydrogen phosphate;phosphoric acid
PubChem CID155226574
Molecular FormulaC2H10O9P2
Molecular Weight240.04 g/mol
Exact Mass239.98
IUPAC Name2-hydroxyethyl dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OCCO
InChIInChI=1S/C2H7O5P.H3O4P/c3-1-2-7-8(4,5)6;1-5(2,3)4/h3H,1-2H2,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyQEAFDSWULCUJSQ-UHFFFAOYSA-N
XLogP-1.84
TPSA164.75 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.04
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
dichloronickel;2-hydroxyethyl dihydrogen phosphate;trichloroyttrium
CID 174854669
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
3-(2-hydroxyethylamino)propyl dihydrogen phosphate
CID 10655598
2-hydroxyethoxy-N-methylphosphonamidic acid
CID 123741981

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl dihydrogen phosphate;phosphoric acid?
The IUPAC name of 2-hydroxyethyl dihydrogen phosphate;phosphoric acid (CID 155226574) is 2-hydroxyethyl dihydrogen phosphate;phosphoric acid.
What is the SMILES notation for 2-hydroxyethyl dihydrogen phosphate;phosphoric acid?
The canonical SMILES for 2-hydroxyethyl dihydrogen phosphate;phosphoric acid is O=P(O)(O)O.O=P(O)(O)OCCO.
What is the InChIKey of 2-hydroxyethyl dihydrogen phosphate;phosphoric acid?
The InChIKey is QEAFDSWULCUJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P.H3O4P/c3-1-2-7-8(4,5)6;1-5(2,3)4/h3H,1-2H2,(H2,4,5,6);(H3,1,2,3,4).
What are the key properties of 2-hydroxyethyl dihydrogen phosphate;phosphoric acid?
2-hydroxyethyl dihydrogen phosphate;phosphoric acid has a molecular weight of 240.04 g/mol, XLogP of -1.84, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl dihydrogen phosphate;phosphoric acid is sourced from PubChem (CID 155226574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).