5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol

C26H42O11P2 — CID 159658809

IUPAC5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol
SMILESCO.COP(=O)(CC(CO)CO)OC.COP(=O)(CC1COC(c2ccccc2)(c2ccccc2)OC1)OC
InChIInChI=1S/C19H23O5P.C6H15O5P.CH4O/c1-21-25(20,22-2)15-16-13-23-19(24-14-16,17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-10-12(9,11-2)5-6(3-7)4-8;1-2/h3-12,16H,13-15H2,1-2H3;6-8H,3-5H2,1-2H3;2H,1H3
InChIKeyMSNGNRNNEBWDQN-UHFFFAOYSA-N
MW592.56 g/mol
LogP3.72
Rot. Bonds12

About 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol

5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol (PubChem CID 159658809) has the molecular formula C26H42O11P2 and a molecular weight of 592.56 g/mol. Its IUPAC name is 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol.

Molecular Properties

Compound Name5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol
PubChem CID159658809
Molecular FormulaC26H42O11P2
Molecular Weight592.56 g/mol
Exact Mass592.22
IUPAC Name5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol
SMILESCO.COP(=O)(CC(CO)CO)OC.COP(=O)(CC1COC(c2ccccc2)(c2ccccc2)OC1)OC
InChIInChI=1S/C19H23O5P.C6H15O5P.CH4O/c1-21-25(20,22-2)15-16-13-23-19(24-14-16,17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-10-12(9,11-2)5-6(3-7)4-8;1-2/h3-12,16H,13-15H2,1-2H3;6-8H,3-5H2,1-2H3;2H,1H3
InChIKeyMSNGNRNNEBWDQN-UHFFFAOYSA-N
XLogP3.72
TPSA150.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.56
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol?
The IUPAC name of 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol (CID 159658809) is 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol.
What is the SMILES notation for 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol?
The canonical SMILES for 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol is CO.COP(=O)(CC(CO)CO)OC.COP(=O)(CC1COC(c2ccccc2)(c2ccccc2)OC1)OC.
What is the InChIKey of 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol?
The InChIKey is MSNGNRNNEBWDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P.C6H15O5P.CH4O/c1-21-25(20,22-2)15-16-13-23-19(24-14-16,17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-10-12(9,11-2)5-6(3-7)4-8;1-2/h3-12,16H,13-15H2,1-2H3;6-8H,3-5H2,1-2H3;2H,1H3.
What are the key properties of 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol?
5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol has a molecular weight of 592.56 g/mol, XLogP of 3.72, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol is sourced from PubChem (CID 159658809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).