[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate

C19H23Cl2NO6P2 — CID 2317818

IUPAC[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
SMILESCCOP(=O)(OCC)C(Cl)(Cl)[C@H](OC(N)=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23Cl2NO6P2/c1-3-26-30(25,27-4-2)19(20,21)17(28-18(22)23)29(24,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,22,23)/t17-/m1/s1
InChIKeyPPFFTVHZPSFMOH-QGZVFWFLSA-N
MW494.25 g/mol
LogP4.82
Rot. Bonds10

About [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate

[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate (PubChem CID 2317818) has the molecular formula C19H23Cl2NO6P2 and a molecular weight of 494.25 g/mol. Its IUPAC name is [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate.

Molecular Properties

Compound Name[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
PubChem CID2317818
Molecular FormulaC19H23Cl2NO6P2
Molecular Weight494.25 g/mol
Exact Mass493.04
IUPAC Name[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
SMILESCCOP(=O)(OCC)C(Cl)(Cl)[C@H](OC(N)=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23Cl2NO6P2/c1-3-26-30(25,27-4-2)19(20,21)17(28-18(22)23)29(24,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,22,23)/t17-/m1/s1
InChIKeyPPFFTVHZPSFMOH-QGZVFWFLSA-N
XLogP4.82
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate
CID 2317816
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene
CID 86588252
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate
CID 4986218
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104
(1S)-1-(4-chlorophenyl)-1-diethoxyphosphoryl-N-diphenylphosphorylethanamine
CID 135031831
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate?
The IUPAC name of [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate (CID 2317818) is [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate.
What is the SMILES notation for [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate?
The canonical SMILES for [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate is CCOP(=O)(OCC)C(Cl)(Cl)[C@H](OC(N)=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate?
The InChIKey is PPFFTVHZPSFMOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23Cl2NO6P2/c1-3-26-30(25,27-4-2)19(20,21)17(28-18(22)23)29(24,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,22,23)/t17-/m1/s1.
What are the key properties of [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate?
[(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate has a molecular weight of 494.25 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dichloro-2-diethoxyphosphoryl-1-diphenylphosphorylethyl] carbamate is sourced from PubChem (CID 2317818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).