9H-fluoren-9-ylmethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}hexyl}carbamate

• ChemBase ID: 161989
• Molecular Formular: C64H63NO8
• Molecular Mass: 974.18692
• Monoisotopic Mass: 973.45536798
• SMILES: c1(ccc(cc1)C(c1ccccc1)(c1ccc(cc1)OC)OCC(CCCCNC(=O)OCC1c2c(c3c1cccc3)cccc2)COC(c1ccc(cc1)OC)(c1ccccc1)c1ccc(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC(COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)CCCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C64H63NO8/c1-67-53-34-26-49(27-35-53)63(47-18-7-5-8-19-47,50-28-36-54(68-2)37-29-50)72-43-46(17-15-16-42-65-62(66)71-45-61-59-24-13-11-22-57(59)58-23-12-14-25-60(58)61)44-73-64(48-20-9-6-10-21-48,51-30-38-55(69-3)39-31-51)52-32-40-56(70-4)41-33-52/h5-14,18-41,46,61H,15-17,42-45H2,1-4H3,(H,65,66)
• InChIKey: BWJZXKXNQAKCKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}hexyl}carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}hexyl}carbamate
• Synonyms: [6-[Bis(4-methoxyphenyl)phenylmethoxy]-5-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]hexyl]carbamic Acid 9H-Fluoren-9-ylmethyl Ester; 1,3-Bis(O-dimethoxytrityl)-2-(N-Fmoc-4-aminobutyl)-1,3-propanediol

Database IDs

• CAS Number: 353754-96-8
• PubChem SID: 162256124
• PubChem CID: 4049150

CALCULATED PROPERTIES

• Acid pKa: 15.361481
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 13.714256
• LogD (pH = 7.4): 13.714256
• Log P: 13.714256
• Molar Refractivity: 290.76 cm^3
• Polarizability: 113.61471 Å^3
• Polar Surface Area: 93.71 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Ethyl Acetate

DETAILS

Toronto Research Chemicals - B429600

A useful synthetic intermediate for oligonucleotide synthesis.

REFERENCES

• Nucleic Acids Research, 20, 23 (1993)