dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol

C17H24O9P2 — CID 174345716

IUPACdihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(CO)C(Oc1ccccc1)c1ccccc1.OP(O)OP(O)O
InChIInChI=1S/C17H20O4.H4O5P2/c18-11-17(12-19,13-20)16(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15;1-6(2)5-7(3)4/h1-10,16,18-20H,11-13H2;1-4H
InChIKeyYDIPMNVCLFVILC-UHFFFAOYSA-N
MW434.32 g/mol
LogP1.20
Rot. Bonds9

About dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol

dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol (PubChem CID 174345716) has the molecular formula C17H24O9P2 and a molecular weight of 434.32 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol
PubChem CID174345716
Molecular FormulaC17H24O9P2
Molecular Weight434.32 g/mol
Exact Mass434.09
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(CO)C(Oc1ccccc1)c1ccccc1.OP(O)OP(O)O
InChIInChI=1S/C17H20O4.H4O5P2/c18-11-17(12-19,13-20)16(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15;1-6(2)5-7(3)4/h1-10,16,18-20H,11-13H2;1-4H
InChIKeyYDIPMNVCLFVILC-UHFFFAOYSA-N
XLogP1.20
TPSA160.07 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.32
LogP ≤ 51.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
[2-(dihydroxyphosphanyloxymethyl)-2-(hydroxymethyl)-3-(4-octadecylphenoxy)-3-(4-octadecylphenyl)propyl] dihydrogen phosphite
CID 90703470
2-(hydroxymethyl)-2-(1-phenoxynonyl)propane-1,3-diol
CID 70520234
2-(hydroxymethyl)-2-[phenyl(tridecoxy)methyl]propane-1,3-diol
CID 175332713
2-[(3,5-ditert-butyl-4-methylphenoxy)-(3,5-ditert-butyl-4-methylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
CID 118427349
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
phenoxy dihydrogen phosphite
CID 22750423
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
1-phenoxyprop-2-enylbenzene
CID 11735962
2-[3-(2-dihydroxyphosphanyloxyethoxy)-2,2-dimethyl-1-phenylpropoxy]ethyl dihydrogen phosphite
CID 54107568
2-[[2,2-bis(hydroxymethyl)-3-phenoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175594454
1-phenoxybut-2-ene-1,4-diol
CID 57216161

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol (CID 174345716) is dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol is OCC(CO)(CO)C(Oc1ccccc1)c1ccccc1.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol?
The InChIKey is YDIPMNVCLFVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4.H4O5P2/c18-11-17(12-19,13-20)16(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15;1-6(2)5-7(3)4/h1-10,16,18-20H,11-13H2;1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol?
dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol has a molecular weight of 434.32 g/mol, XLogP of 1.20, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 174345716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).