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C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino]- (ACI)
Substance Detail CAS Registry Number 944268-75-1 Key Physical Properties Value Condition Molecular Weight 361.35 - Density (Predicted) 1.459±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 8.27±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3 Isomeric SMILES O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=CC=CC=C3)=O)C(=O)N1 InChI InChI= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17(...
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C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Substance Detail CAS Registry Number 784-71-4 H228 Key Physical Properties Value Condition Molecular Weight 246.19 - Melting Point (Experimental) 149-150 °C - Density (Predicted) 1.63±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F Isomeric SMILES F[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C=C2 InChI InChI= 1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(1...
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C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Substance Detail CAS Registry Number 22423-26-3 Key Physical Properties Value Condition Molecular Weight 240.21 - Melting Point (Experimental) 218 °C Solvent: Ethanol; Isopropanol Boiling Point (Predicted) 452.0±55.0 °C Press: 760 Torr Density (Predicted) 1.88±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 12.56±0.60 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO Isomeric SMILES O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C...
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C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Substance Detail CAS Registry Number 3736-77-4 Key Physical Properties Value Condition Molecular Weight 226.19 - Melting Point (Experimental) 234-235 °C - Boiling Point (Predicted) 456.3±55.0 °C Press: 760 Torr Density (Predicted) 2.01±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 12.55±0.40 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)CO Isomeric SMILES O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H] In...
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C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
Substance Detail CAS Registry Number 2140-71-8 Key Physical Properties Value Condition Molecular Weight 297.27 - Melting Point (Experimental) 233-235 °C Solvent: Methanol Density (Predicted) 1.98±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 9.64±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC Isomeric SMILES O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](CO)[C@H]1O InChI InChI= 1S/C11H15N5O5/c1-20-7-...
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C11H16N6O4 Adenosine, 2-amino-2′ -O-methyl- (9CI, ACI)
Substance Detail CAS Registry Number 80791-87-3 Key Physical Properties Value Condition Molecular Weight 296.28 - Melting Point (Experimental) 121-122 °C Solvent: Methanol Boiling Point (Predicted) 733.2±70.0 °C Press: 760 Torr Density (Predicted) 1.98±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 13.12±0.70 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES OCC1OC(N2C= NC=3C(= NC(= NC32)N)N)C(OC)C1O Isomeric SMILES O(C)[C@H]1[C@H](N2C=3C(N=C2)=...
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C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
Substance Detail CAS Registry Number 2140-79-6 Key Physical Properties Value Condition Molecular Weight 281.27 - Melting Point (Experimental) 204-206 °C - Boiling Point (Predicted) 623.8±65.0 °C Press: 760 Torr Density (Predicted) 1.84±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 13.13±0.70 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O Isomeric SMILES O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[...
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C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphoramidite] (ACI)
Substance Detail CAS Registry Number 104992-55-4 Key Physical Properties Value Condition Molecular Weight 988.19 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=...
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C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
Substance Detail CAS Registry Number 163878-63-5 H302 Key Physical Properties Value Condition Molecular Weight 818.89 - pKa (Predicted) 9.55±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5 InChI InChI= ...
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C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Substance Detail CAS Registry Number 163759-94-2 Key Physical Properties Value Condition Molecular Weight 922.01 - pKa (Predicted) 8.59±0.40 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5=CC=C(OC)C...
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C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)
Substance Detail CAS Registry Number 251647-55-9 H302 Key Physical Properties Value Condition Molecular Weight 914.00 - pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6) N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(O...
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C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Substance Detail CAS Registry Number 251647-53-7 H302 Key Physical Properties Value Condition Molecular Weight 932.01 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 =CC=C(OC)C=C5)(C...
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