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CAS No.: | 64325-78-6 |
---|---|
Name: | N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C38H35 N5 O6 |
Molecular Weight: | 657.726 |
Synonyms: | Adenosine,N-benzoyl-5'-O-[a,a-bis(p-methoxyphenyl)benzyl]-2'-deoxy-(7CI); 5'-O-(Dimethoxytrityl)-N-benzoyldeoxyadenosine;5'-O-(Dimethoxytrityl)-N6-benzoyl-2'-deoxyadenosine;N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine;N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine;N6-Benzoyl-5'-O-(dimethoxytrityl)deoxyadenosine |
EINECS: | 264-776-4 |
Density: | 1.32 g/cm3 |
Melting Point: | 94 °C |
Boiling Point: | 681.42°C (rough estimate) |
Solubility: | CLEAR FAINT YELLOW SOLUTION AT 50MG/ML OF CHLOROFORM |
Appearance: | WHITE TO WHITE WITH A YELLOW CAST POWDER |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | S22;S24/25 |
PSA: | 129.85000 |
LogP: | 5.82590 |
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Product Name: Adenosine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy- (CAS NO.64325-78-6)
Molecular Formula: C38H35N5O6
Molecular Weight: 657.71g/mol
Mol File: 64325-78-6.mol
EINECS: 264-776-4
Melting Point: 94 °C
Storage Temperature: -20°C
Density: 1.32 g/cm3
Surface Tension: 52.6 dyne/cm
XLogP3-AA: 4.8
H-Bond Donor: 2
H-Bond Acceptor: 9
Structure Descriptors of Adenosine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy- (CAS NO.64325-78-6):
IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=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=C5N=CN=C6NC(=O)C7=CC=CC=C7)O
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
InChIKey: LPICNYATEWGYHI-WIHCDAFUSA-N
Product Categories: Organics; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents
Safety Information of Adenosine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy- (CAS NO.64325-78-6):
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 22-24/25-36-26
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
F: 1-3-10
Adenosine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy- , its CAS NO. is 64325-78-6, the synonyms are DMBTA ; EINECS 264-776-4 ; N-Benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxyadenosine .