CID 162253126

C5H12Cl4O7P2 — CID 162253126

IUPAC—
SMILESO=P(Cl)(Cl)OP(=O)(Cl)Cl.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.Cl4O3P2/c6-1-5(2-7,3-8)4-9;1-8(2,5)7-9(3,4)6/h6-9H,1-4H2;
InChIKeyZYGALACOHWWQGU-UHFFFAOYSA-N
MW387.90 g/mol
LogP2.12
Rot. Bonds6

About CID 162253126

CID 162253126 (PubChem CID 162253126) has the molecular formula C5H12Cl4O7P2 and a molecular weight of 387.90 g/mol.

Molecular Properties

Compound NameCID 162253126
PubChem CID162253126
Molecular FormulaC5H12Cl4O7P2
Molecular Weight387.90 g/mol
Exact Mass385.88
IUPAC Name—
SMILESO=P(Cl)(Cl)OP(=O)(Cl)Cl.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.Cl4O3P2/c6-1-5(2-7,3-8)4-9;1-8(2,5)7-9(3,4)6/h6-9H,1-4H2;
InChIKeyZYGALACOHWWQGU-UHFFFAOYSA-N
XLogP2.12
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;phosphoric acid
CID 172758771
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethyl phosphono phosphate
CID 87840038
dichlorophosphoryl dihydrogen phosphate
CID 20539564
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate
CID 175182987
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
2,2-bis(hydroxymethyl)propane-1,3-diol;(1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol;phosphoryl trichloride
CID 159140051
dichlorophosphorylmethanol
CID 130324841
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571

Frequently Asked Questions

What is the IUPAC name of CID 162253126?
The IUPAC name of CID 162253126 (CID 162253126) is not available.
What is the SMILES notation for CID 162253126?
The canonical SMILES for CID 162253126 is O=P(Cl)(Cl)OP(=O)(Cl)Cl.OCC(CO)(CO)CO.
What is the InChIKey of CID 162253126?
The InChIKey is ZYGALACOHWWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.Cl4O3P2/c6-1-5(2-7,3-8)4-9;1-8(2,5)7-9(3,4)6/h6-9H,1-4H2;.
What are the key properties of CID 162253126?
CID 162253126 has a molecular weight of 387.90 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162253126 is sourced from PubChem (CID 162253126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).