N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-O-methyladenosine

Basic Information

View in Editor

CAS Number

110782-31-5

Molecular Formula

C48H54N7O8P

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

93-95°C

Solubility

Acetonitrile (Sparingly), DMSO (Slightly), Methanol (Slightly)

SMILES

View in Editor

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

InChI

InChI=1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(50-30-51-45(41)54)53-46(56)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,42-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1

InChIKey

AZCGOTUYEPXHMJ-PSVHYZMASA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

1430

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(2R,3R,4R,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-methoxytetrahydrofuran-3-yl(2-cyanoethyl)diisopropylphosphoramidite
C71369
2'-OMe-A(Bz) Phosphoramidite
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-O-methyladenosine
2'-O-Methyl-rA(N-Bz)phosphoramidite
PD156728
N-{9-[(2R,3R,4R,5R)-5-{[BIS(4-METHOXYPHENYL)(PHENYL)METHOXY]METHYL}-4-{[(2-CYANOETHOXY)(DIISOPROPYLAMINO)PHOSPHANYL]OXY}-3-METHOXYOXOLAN-2-YL]PURIN-6-YL}BENZAMIDE
AS-75292
(2R,3R,4R,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
AKOS016003786
5'-O-DMT-2'-OMe-Benzoyl-Adenosine-CE Phosphoramidite
DMT-2'O-Methyl-rA(bz) Phosphoramidite, configured for MerMade
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CS-0159227
HY-138580
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-2'-O-methyladenosine
DMT-2'O-Methyl-rA(bz) Phosphoramidite
DMT-2'O-Methyl-rA(bz) Phosphoramidite, configured for (??KTA(R) and OligoPilot(R)), configured for ABI
SCHEMBL668595
DMT-2'-O-methyl-rA(Bz) Phosphoramidite
N-{9-[(2R,3R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)-3-methoxyoxolan-2-yl]-9H-purin-6-yl}benzamide
J-700069
N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-methyladenosine-3'-(2-cyanoethyl diisopropylphosphoramidite)
DMT-2'O-Methyl-rA(bz) Phosphoramidite, configured for ??KTA(R) and OligoPilot(R)
DMT-2'O-Methyl-rA(bz) Phosphoramidite, configured for ABI
C48H54N7O8P
DMT-2'O-Methyl-rA(bz) Phosphoramidite;(2R,3R,4R,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-methoxytetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
BP-28834
DTXSID60551649
N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-methyladenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite
5'-O-DMT-2'-O-Me-A(bz) phosphoramidite