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353754-96-8 molecular structure
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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 and InChIs

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

Cite this record

CBID:161989 http://www.chembase.cn/molecule-161989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
353754-96-8
PubChem SID
162256124
PubChem CID
4049150

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B429600 external link Add to cart
PubChem 4049150 external link
Data Source Data ID Price
TRC
B429600 external link Add to cart Please log in.
Data Source Data ID
PubChem 4049150 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.361481  H Acceptors
H Donor LogD (pH = 5.5) 13.714256 
LogD (pH = 7.4) 13.714256  Log P 13.714256 
Molar Refractivity 290.76 cm3 Polarizability 113.61471 Å3
Polar Surface Area 93.71 Å2 Rotatable Bonds 24 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Ethyl Acetate expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B429600 external link
A useful synthetic intermediate for oligonucleotide synthesis.

REFERENCES

REFERENCES

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  • • Nucleic Acids Research, 20, 23 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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