chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid

C5H12Cl2O6P2 — CID 19418229

IUPACchloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid
SMILESOCC(CO)(COP(O)Cl)COP(O)Cl
InChIInChI=1S/C5H12Cl2O6P2/c6-14(10)12-3-5(1-8,2-9)4-13-15(7)11/h8-11H,1-4H2
InChIKeyWVVJRKBXDVLKGK-UHFFFAOYSA-N
MW301.00 g/mol
LogP0.91
Rot. Bonds8

About chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid

chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid (PubChem CID 19418229) has the molecular formula C5H12Cl2O6P2 and a molecular weight of 301.00 g/mol. Its IUPAC name is chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid.

Molecular Properties

Compound Namechloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid
PubChem CID19418229
Molecular FormulaC5H12Cl2O6P2
Molecular Weight301.00 g/mol
Exact Mass299.95
IUPAC Namechloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid
SMILESOCC(CO)(COP(O)Cl)COP(O)Cl
InChIInChI=1S/C5H12Cl2O6P2/c6-14(10)12-3-5(1-8,2-9)4-13-15(7)11/h8-11H,1-4H2
InChIKeyWVVJRKBXDVLKGK-UHFFFAOYSA-N
XLogP0.91
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid?
The IUPAC name of chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid (CID 19418229) is chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid.
What is the SMILES notation for chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid?
The canonical SMILES for chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid is OCC(CO)(COP(O)Cl)COP(O)Cl.
What is the InChIKey of chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid?
The InChIKey is WVVJRKBXDVLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2O6P2/c6-14(10)12-3-5(1-8,2-9)4-13-15(7)11/h8-11H,1-4H2.
What are the key properties of chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid?
chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid has a molecular weight of 301.00 g/mol, XLogP of 0.91, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid is sourced from PubChem (CID 19418229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).