[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate

C34H38NO5P — CID 134944278

IUPAC[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate
SMILESC=C[C@@H](CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H38NO5P/c1-2-32(38-35(28-30-18-8-3-9-19-30)29-31-20-10-4-11-21-31)22-16-7-17-27-37-41(36,39-33-23-12-5-13-24-33)40-34-25-14-6-15-26-34/h2-6,8-15,18-21,23-26,32H,1,7,16-17,22,27-29H2/t32-/m0/s1
InChIKeyNAMWPTQEHYRNFD-YTTGMZPUSA-N
MW571.65 g/mol
LogP9.02
Rot. Bonds18

About [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate

[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate (PubChem CID 134944278) has the molecular formula C34H38NO5P and a molecular weight of 571.65 g/mol. Its IUPAC name is [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate.

Molecular Properties

Compound Name[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate
PubChem CID134944278
Molecular FormulaC34H38NO5P
Molecular Weight571.65 g/mol
Exact Mass571.25
IUPAC Name[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate
SMILESC=C[C@@H](CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H38NO5P/c1-2-32(38-35(28-30-18-8-3-9-19-30)29-31-20-10-4-11-21-31)22-16-7-17-27-37-41(36,39-33-23-12-5-13-24-33)40-34-25-14-6-15-26-34/h2-6,8-15,18-21,23-26,32H,1,7,16-17,22,27-29H2/t32-/m0/s1
InChIKeyNAMWPTQEHYRNFD-YTTGMZPUSA-N
XLogP9.02
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.65
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphonic acid, [phenyl[(phenylmethyl)amino]methyl]-, diphenyl ester
CID 2876041
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
Diphenyl (dibenzylamido)phosphate
CID 101475155
(E)-N,N'-dibenzyl-N,N'-bis[methyl(1-phenylethenoxy)phosphoryl]but-2-ene-1,4-diamine
CID 102147222
Dibenzyl P-[alpha-(N-Benzyl-N-hydroxyamino)benzyl]phosphonate
CID 19883779
N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine
CID 19883781
[Benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid
CID 19883784
Benzyl(trimethyl)azanium;methyl phenyl phosphate
CID 20288980
Diphenyl phosphate;trimethyl(1-phenyltridecyl)azanium
CID 20289023
Tetrabenzylazanium;tetraphenoxyalumanuide
CID 20464252
N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine
CID 22751835
(Dibenzylamino) phenyl hydrogen phosphate
CID 23023266

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate?
The IUPAC name of [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate (CID 134944278) is [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate.
What is the SMILES notation for [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate?
The canonical SMILES for [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate is C=C[C@@H](CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate?
The InChIKey is NAMWPTQEHYRNFD-YTTGMZPUSA-N. The full InChI is InChI=1S/C34H38NO5P/c1-2-32(38-35(28-30-18-8-3-9-19-30)29-31-20-10-4-11-21-31)22-16-7-17-27-37-41(36,39-33-23-12-5-13-24-33)40-34-25-14-6-15-26-34/h2-6,8-15,18-21,23-26,32H,1,7,16-17,22,27-29H2/t32-/m0/s1.
What are the key properties of [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate?
[(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate has a molecular weight of 571.65 g/mol, XLogP of 9.02, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(dibenzylamino)oxyoct-7-enyl] diphenyl phosphate is sourced from PubChem (CID 134944278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).