N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide

C53H52NO8PS — CID 14680192

IUPACN-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=P(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H52NO8PS/c1-41-32-34-48(35-33-41)64(55,56)54-63(46-28-16-6-17-29-46,47-30-18-7-19-31-47)62-53-52(60-39-45-26-14-5-15-27-45)51(59-38-44-24-12-4-13-25-44)50(58-37-43-22-10-3-11-23-43)49(61-53)40-57-36-42-20-8-2-9-21-42/h2-35,49-53H,36-40H2,1H3/t49-,50-,51+,52-,53-/m1/s1
InChIKeyFKDMLBKQGDJRMP-GIPKGRTISA-N
MW894.04 g/mol
LogP10.17
Rot. Bonds19

About N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide

N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide (PubChem CID 14680192) has the molecular formula C53H52NO8PS and a molecular weight of 894.04 g/mol. Its IUPAC name is N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide
PubChem CID14680192
Molecular FormulaC53H52NO8PS
Molecular Weight894.04 g/mol
Exact Mass893.32
IUPAC NameN-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=P(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H52NO8PS/c1-41-32-34-48(35-33-41)64(55,56)54-63(46-28-16-6-17-29-46,47-30-18-7-19-31-47)62-53-52(60-39-45-26-14-5-15-27-45)51(59-38-44-24-12-4-13-25-44)50(58-37-43-22-10-3-11-23-43)49(61-53)40-57-36-42-20-8-2-9-21-42/h2-35,49-53H,36-40H2,1H3/t49-,50-,51+,52-,53-/m1/s1
InChIKeyFKDMLBKQGDJRMP-GIPKGRTISA-N
XLogP10.17
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.04
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

[(2S,3S,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl] 4-methylbenzenesulfonate
CID 102328749
[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] N-(cyanomethyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 11491214
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-1-en-2-yloxyoxane
CID 11330690
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
CID 10724583
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide (CID 14680192) is N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=P(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide?
The InChIKey is FKDMLBKQGDJRMP-GIPKGRTISA-N. The full InChI is InChI=1S/C53H52NO8PS/c1-41-32-34-48(35-33-41)64(55,56)54-63(46-28-16-6-17-29-46,47-30-18-7-19-31-47)62-53-52(60-39-45-26-14-5-15-27-45)51(59-38-44-24-12-4-13-25-44)50(58-37-43-22-10-3-11-23-43)49(61-53)40-57-36-42-20-8-2-9-21-42/h2-35,49-53H,36-40H2,1H3/t49-,50-,51+,52-,53-/m1/s1.
What are the key properties of N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide?
N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide has a molecular weight of 894.04 g/mol, XLogP of 10.17, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenyl-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-lambda5-phosphanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 14680192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).