Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
B119470-100mg | 100mg | 2 | $9.90 | |
B119470-1g | 1g | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $24.90 | |
B119470-5g | 5g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $82.90 |
Synonyms | 5'-O-DMT-N6-Benzoyl-2'-Deoxyadenosine | HY-W013077 | N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine | Adenosine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy- | BP-58856 | SCHEMBL3824084 | AKOS015839047 | Adenosine, N-benzoyl-5'-O- |
---|---|
Specifications & Purity | ≥99% |
Storage Temp | Store at -20°C,Argon charged |
Shipped In | Ice chest + Ice pads |
IUPAC Name | N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide |
---|---|
INCHI | InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1 |
InChi Key | LPICNYATEWGYHI-WIHCDAFUSA-N |
Canonical SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O |
Isomeric SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O |
WGK Germany | 3 |
Molecular Weight | 657.71 |
Beilstein | 602310 |
Reaxy-Rn | 62392324 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62392324&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
---|---|---|---|
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | May 29, 2025 | B119470 |
![]() | Certificate of Analysis | Sep 03, 2024 | B119470 |
![]() | Certificate of Analysis | Apr 11, 2024 | B119470 |
Solubility | Clear Colorless to Faint Yellow Solution at 250 mg Plus 5 ml CHCL3 |
---|---|
Sensitivity | Hygroscopic |
Specific Rotation[α] | -9.0 to -12.0°(C=1, MeOH) |
Melt Point(°C) | 94°C |
Molecular Weight | 657.700 g/mol |
XLogP3 | 4.800 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 11 |
Exact Mass | 657.259 Da |
Monoisotopic Mass | 657.259 Da |
Topological Polar Surface Area | 130.000 Ų |
Heavy Atom Count | 49 |
Formal Charge | 0 |
Complexity | 1020.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 0 |
Covalently-Bonded Unit Count | 1 |
Pictogram(s) | GHS09, GHS07 |
---|---|
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H400:Very toxic to aquatic life H410:Very toxic to aquatic life with long lasting effects |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
WGK Germany | 3 |
Reaxy-Rn | 62392324 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62392324&ln= |
Specific Rotation [a]20/D(c=1 in MeOH) | -12~-9(°) |
---|---|
Carbon by Elemental Analysis | 68-70.8(%) |
Purity( total nitrogen ) | 98-100(%) |
Nitrogen by Elemental Analysis | 10.3-10.9(%) |
Purity(HPLC) | 99-100(%) |
Appearance(B119470) | White to Off-White Powder |
Proton NMR spectrum | Conforms to Structure |
Solubility in CHCL3,clear colorless to light yellow solution,50mg/ml | pass |