(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol

C18H20NO4P — CID 10831350

IUPAC(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C18H20NO4P/c20-18-13-14-11-12-17(18)19(14)24(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-10,14,17-18,20H,11-13H2/t14-,17+,18+/m0/s1
InChIKeySJRJSKSREWRKNN-BMGDILEWSA-N
MW345.33 g/mol
LogP3.85
Rot. Bonds5

About (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol

(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol (PubChem CID 10831350) has the molecular formula C18H20NO4P and a molecular weight of 345.33 g/mol. Its IUPAC name is (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol
PubChem CID10831350
Molecular FormulaC18H20NO4P
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)N1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C18H20NO4P/c20-18-13-14-11-12-17(18)19(14)24(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-10,14,17-18,20H,11-13H2/t14-,17+,18+/m0/s1
InChIKeySJRJSKSREWRKNN-BMGDILEWSA-N
XLogP3.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol (CID 10831350) is (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol is O=P(Oc1ccccc1)(Oc1ccccc1)N1[C@H]2CC[C@@H]1[C@H](O)C2.
What is the InChIKey of (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol?
The InChIKey is SJRJSKSREWRKNN-BMGDILEWSA-N. The full InChI is InChI=1S/C18H20NO4P/c20-18-13-14-11-12-17(18)19(14)24(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-10,14,17-18,20H,11-13H2/t14-,17+,18+/m0/s1.
What are the key properties of (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol has a molecular weight of 345.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-7-diphenoxyphosphoryl-7-azabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).