[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane

C30H32NO5P — CID 11214503

IUPAC[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane
SMILESCC(C)CC1=N[C@H]2[C@@H](O1)O[C@@H]1CO[C@@H](c3ccccc3)O[C@H]1[C@@H]2OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32NO5P/c1-20(2)18-25-31-26-28(36-37(22-14-8-4-9-15-22)23-16-10-5-11-17-23)27-24(33-30(26)34-25)19-32-29(35-27)21-12-6-3-7-13-21/h3-17,20,24,26-30H,18-19H2,1-2H3/t24-,26-,27-,28-,29-,30-/m1/s1
InChIKeySJXICKADYDLJEJ-HMDGCWDXSA-N
MW517.56 g/mol
LogP5.10
Rot. Bonds7

About [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane

[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane (PubChem CID 11214503) has the molecular formula C30H32NO5P and a molecular weight of 517.56 g/mol. Its IUPAC name is [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane
PubChem CID11214503
Molecular FormulaC30H32NO5P
Molecular Weight517.56 g/mol
Exact Mass517.20
IUPAC Name[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane
SMILESCC(C)CC1=N[C@H]2[C@@H](O1)O[C@@H]1CO[C@@H](c3ccccc3)O[C@H]1[C@@H]2OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32NO5P/c1-20(2)18-25-31-26-28(36-37(22-14-8-4-9-15-22)23-16-10-5-11-17-23)27-24(33-30(26)34-25)19-32-29(35-27)21-12-6-3-7-13-21/h3-17,20,24,26-30H,18-19H2,1-2H3/t24-,26-,27-,28-,29-,30-/m1/s1
InChIKeySJXICKADYDLJEJ-HMDGCWDXSA-N
XLogP5.10
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane with MolForge

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Related Compounds

N-[[4-[[4-(diethylaminomethyl)phenyl]-[[(1R,3R,7R,8R,9R)-5-methyl-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy]phosphanyl]phenyl]methyl]-N-ethylethanamine
CID 101073457
(1R,3R,7R,8R,9S,11R)-11-phenyl-8-phenylmethoxy-5-[2-[(1R,3R,7R,8R,9S,11R)-11-phenyl-8-phenylmethoxy-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-5-yl]propan-2-yl]-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-ene
CID 102039091
[(1R,3R,7R,8R,9S,11R)-5-[2-[(1R,3R,7R,8R,9S,11R)-8-benzoyloxy-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-5-yl]propan-2-yl]-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl] benzoate
CID 25242847
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030
(1S,7S,9R)-4-methyl-12-phenyl-7-phenylmethoxy-3,8,11,13-tetraoxa-5-azatricyclo[7.4.0.02,6]tridec-4-ene
CID 51055799
[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane
CID 10557218
(1S,2S,6R,7S,9R,12S)-4-methyl-12-phenyl-7-phenylmethoxy-3,8,11,13-tetraoxa-5-azatricyclo[7.4.0.02,6]tridec-4-ene
CID 40573607
(2S,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336
(4aR,7S,8R,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 167040724
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71013745
6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane?
The IUPAC name of [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane (CID 11214503) is [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane.
What is the SMILES notation for [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane?
The canonical SMILES for [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane is CC(C)CC1=N[C@H]2[C@@H](O1)O[C@@H]1CO[C@@H](c3ccccc3)O[C@H]1[C@@H]2OP(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane?
The InChIKey is SJXICKADYDLJEJ-HMDGCWDXSA-N. The full InChI is InChI=1S/C30H32NO5P/c1-20(2)18-25-31-26-28(36-37(22-14-8-4-9-15-22)23-16-10-5-11-17-23)27-24(33-30(26)34-25)19-32-29(35-27)21-12-6-3-7-13-21/h3-17,20,24,26-30H,18-19H2,1-2H3/t24-,26-,27-,28-,29-,30-/m1/s1.
What are the key properties of [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane?
[(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane has a molecular weight of 517.56 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,7R,8R,9R,11R)-5-(2-methylpropyl)-11-phenyl-2,4,10,12-tetraoxa-6-azatricyclo[7.4.0.03,7]tridec-5-en-8-yl]oxy-diphenylphosphane is sourced from PubChem (CID 11214503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).