2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane

C8H23O7P — CID 45109789

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane
SMILESCCC.CCO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P.C3H8.C2H6O/c4-1-3(5)2-9-10(6,7)8;1-3-2;1-2-3/h3-5H,1-2H2,(H2,6,7,8);3H2,1-2H3;3H,2H2,1H3
InChIKeyGDQGIGPGALPYCN-UHFFFAOYSA-N
MW262.24 g/mol
LogP-0.14
Rot. Bonds4

About 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane

2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane (PubChem CID 45109789) has the molecular formula C8H23O7P and a molecular weight of 262.24 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane
PubChem CID45109789
Molecular FormulaC8H23O7P
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane
SMILESCCC.CCO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P.C3H8.C2H6O/c4-1-3(5)2-9-10(6,7)8;1-3-2;1-2-3/h3-5H,1-2H2,(H2,6,7,8);3H2,1-2H3;3H,2H2,1H3
InChIKeyGDQGIGPGALPYCN-UHFFFAOYSA-N
XLogP-0.14
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane 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 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane (CID 45109789) is 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane is CCC.CCO.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane?
The InChIKey is GDQGIGPGALPYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P.C3H8.C2H6O/c4-1-3(5)2-9-10(6,7)8;1-3-2;1-2-3/h3-5H,1-2H2,(H2,6,7,8);3H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane?
2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane has a molecular weight of 262.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;ethanol;propane is sourced from PubChem (CID 45109789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).