phosphanethione 9H-fluoren-9-ylmethyl N-[2-(ethylcarbamoyl)-1-(2-nitrophenyl)ethyl]carbamate

• ChemBase ID: 151758
• Molecular Formular: C26H27N3O5PS
• Molecular Mass: 524.548441
• Monoisotopic Mass: 524.14090361
• SMILES: CCNC(=O)CC(c1ccccc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2c2c1cccc2.P=S
• Canonical SMILES: CCNC(=O)CC(c1ccccc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2c2c1cccc2.S=P
• InChI: InChI=1S/C26H25N3O5.HPS/c1-2-27-25(30)15-23(21-13-7-8-14-24(21)29(32)33)28-26(31)34-16-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22;1-2/h3-14,22-23H,2,15-16H2,1H3,(H,27,30)(H,28,31);1H
• InChIKey: WSJFYNNKEBCDHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphanethione 9H-fluoren-9-ylmethyl N-[2-(ethylcarbamoyl)-1-(2-nitrophenyl)ethyl]carbamate
• IUPAC Traditional name: phosphorus sulfide 9H-fluoren-9-ylmethyl N-[2-(ethylcarbamoyl)-1-(2-nitrophenyl)ethyl]carbamate
• Synonyms: ANP resin; Fmoc-3-amino-3-(2-nitrophenyl)propionic acid, polymer-bound; ANP 树脂; 聚合物键合型 Fmoc-3-氨基-3-(2-硝基苯基)丙酸

Database IDs

• MDL Number: MFCD01092254
• PubChem SID: 162245908; 24880197
• PubChem CID: 16217209

CALCULATED PROPERTIES

• Acid pKa: 13.634846
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.2113314
• LogD (pH = 7.4): 4.2113314
• Log P: 4.2113314
• Molar Refractivity: 127.8576 cm^3
• Polarizability: 49.82219 Å^3
• Polar Surface Area: 113.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 100-200 mesh
• Extent of Labeling: 0.5-1.0 mmol/g loading
• Crosslinking: 1 % cross-linked with divinylbenzene

DETAILS

Sigma Aldrich - 564745

Packaging
1, 5 g in glass bottle