dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol

C39H36O7P2 — CID 160640648

IUPACdihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)OP(O)O
InChIInChI=1S/C39H32O2.H4O5P2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33;1-6(2)5-7(3)4/h1-30,40-41H;1-4H
InChIKeyRJCZMCMWXOSNBT-UHFFFAOYSA-N
MW678.66 g/mol
LogP7.27
Rot. Bonds10

About dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol

dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol (PubChem CID 160640648) has the molecular formula C39H36O7P2 and a molecular weight of 678.66 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
PubChem CID160640648
Molecular FormulaC39H36O7P2
Molecular Weight678.66 g/mol
Exact Mass678.19
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)OP(O)O
InChIInChI=1S/C39H32O2.H4O5P2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33;1-6(2)5-7(3)4/h1-30,40-41H;1-4H
InChIKeyRJCZMCMWXOSNBT-UHFFFAOYSA-N
XLogP7.27
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.66
LogP ≤ 57.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol (CID 160640648) is dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol is OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
The InChIKey is RJCZMCMWXOSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32O2.H4O5P2/c40-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)39(41,36-29-17-6-18-30-36)37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33;1-6(2)5-7(3)4/h1-30,40-41H;1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol?
dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol has a molecular weight of 678.66 g/mol, XLogP of 7.27, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol is sourced from PubChem (CID 160640648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).