2-[(2-hydroxyethyl)sulfanyl]ethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}carbamate

• ChemBase ID: 162361
• Molecular Formular: C32H41NO6S
• Molecular Mass: 567.73604
• Monoisotopic Mass: 567.26545904
• SMILES: O(CCCCCCNC(=O)OCCSCCO)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: OCCSCCOC(=O)NCCCCCCOC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C32H41NO6S/c1-36-29-16-12-27(13-17-29)32(26-10-6-5-7-11-26,28-14-18-30(37-2)19-15-28)39-22-9-4-3-8-20-33-31(35)38-23-25-40-24-21-34/h5-7,10-19,34H,3-4,8-9,20-25H2,1-2H3,(H,33,35)
• InChIKey: RSIVUWCASYZRIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-hydroxyethyl)sulfanyl]ethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}carbamate
• IUPAC Traditional name: 2-[(2-hydroxyethyl)sulfanyl]ethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}carbamate
• Synonyms: [6-[Bis(4-methoxyphenyl)phenylmethoxy]hexyl]-carbamic Acid 2-[(2-Hydroxyethyl)sulfanyl]ethyl Ester

Database IDs

• PubChem SID: 162256496
• PubChem CID: 71314093

CALCULATED PROPERTIES

• Acid pKa: 15.167138
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 5.9163575
• LogD (pH = 7.4): 5.9163575
• Log P: 5.9163575
• Molar Refractivity: 162.3397 cm^3
• Polarizability: 62.905293 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Yellow Oil

DETAILS

Toronto Research Chemicals - B490040

Used in the preparation of solid support reagents useful in the synthesis of polynucleotides.