| CAS Number | 161442-19-9 |
| Catalog Number | AG001SH9(AGN-PC-0Q81CK) |
| Chemical Name | 2'-F-Bz-dC Phosphoramidite |
| IUPAC Name | N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| InChI | InChI=1S/C46H51FN5O8P/c1-31(2)52(32(3)4)61(58-29-13-27-48)60-42-39(59-44(41(42)47)51-28-26-40(50-45(51)54)49-43(53)33-14-9-7-10-15-33)30-57-46(34-16-11-8-12-17-34,35-18-22-37(55-5)23-19-35)36-20-24-38(56-6)25-21-36/h7-12,14-26,28,31-32,39,41-42,44H,13,29-30H2,1-6H3,(H,49,50,53,54)/t39-,41-,42-,44-,61?/m1/s1 |
| InChI Key | CKKJPMGSTGVCJJ-GNUWXFRUSA-N |
| MDL Number | MFCD18910581 |
| Molecular Formula | C46H51FN5O8P |
| Molecular Weight | 851.8980 |
| SMILES | COC1=CC=C(C(C2=CC=C(OC)C=C2)(OC[C@@H]3[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@H](N4C(N=C(NC(C5=CC=CC=C5)=O)C=C4)=O)O3)C6=CC=CC=C6)C=C1 |
| Synonyms | 2'-F-Bz-dC Phosphoramidite,
161442-19-9,
2'-FLUORO-N4-BENZOYL-5'-O-DMT-2'-DEOXYCYTIDINE-3'-CE-PHOSPHORAMIDITE,
ZINC150669340,
AK163031,
J-700057,
CKKJPMGSTGVCJJ-GNUWXFRUSA-N,
CID10328204,
CID 10328204,
|
| Complexity | 1480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 851.346g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 61 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 851.913g/mol |
| Monoisotopic Mass | 851.346g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.8 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H315-H317-H319-H335-H360
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P261-P280-P305+P351+P338-P308+P313
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number