Home Products 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)
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)
Get high-quality ACI from our factory. Our product, Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite], CAS NO.: 104992-55-4, is the ideal choice for your needs.
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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
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=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7 InChI InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1 InChI Key FFXHNCNNHASXCT-RFMFGJHUSA-N 1 Other Name for this Substance Adenosine, N -benzoyl-5′ -O - [bis(4-methoxyphenyl)phenylmethyl]-2′ -O - [(1,1-dimethylethyl)dimethylsilyl]-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidite] (9CI)Spectra available Mass Properties available Biological Chemical Lipinski Structure Related Property Value Condition Source Bioconcentration Factor 5.50 x 105 pH 1; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 2; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 3; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 4; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 5; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 6; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 7; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 8; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 9; Temp: 25 °C (1) ACD Bioconcentration Factor 1.00 x 106 pH 10; Temp: 25 °C (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs) Property Value Condition Source Koc 61500 pH 1; Temp: 25 °C (1) ACD Koc 1.64 x 106 pH 2; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 3; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 4; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 5; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 6; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 7; Temp: 25 °C (1) ACD Koc 1.00 x 107 pH 8; Temp: 25 °C (1) ACD Koc 3.20 x 106 pH 9; Temp: 25 °C (1) ACD
Property Value Condition Source Koc 9.24 x 105 pH 10; Temp: 25 °C (1) ACD logD 8.81 pH 1; Temp: 25 °C (1) ACD logD 10.24 pH 2; Temp: 25 °C (1) ACD logD 11.24 pH 3; Temp: 25 °C (1) ACD logD 11.73 pH 4; Temp: 25 °C (1) ACD logD 11.83 pH 5; Temp: 25 °C (1) ACD logD 11.83 pH 6; Temp: 25 °C (1) ACD logD 11.75 pH 7; Temp: 25 °C (1) ACD logD 11.31 pH 8; Temp: 25 °C (1) ACD logD 10.53 pH 9; Temp: 25 °C (1) ACD logD 9.99 pH 10; Temp: 25 °C (1) ACD logP 11.845±0.715 Temp: 25 °C (1) ACD Mass Intrinsic Solubility 1.2 x 10-5 g/L Temp: 25 °C (1) ACD Mass Solubility 3.5 x 10-3 g/L pH 1; Temp: 25 °C (1) ACD Mass Solubility 1.1 x 10-4 g/L pH 2; Temp: 25 °C (1) ACD Mass Solubility 9.9 x 10-6 g/L pH 3; Temp: 25 °C (1) ACD Mass Solubility 3.4 x 10-6 g/L pH 4; Temp: 25 °C (1) ACD Mass Solubility 2.7 x 10-6 g/L pH 5; Temp: 25 °C (1) ACD Mass Solubility 2.7 x 10-6 g/L pH 6; Temp: 25 °C (1) ACD Mass Solubility 3.2 x 10-6 g/L pH 7; Temp: 25 °C (1) ACD Mass Solubility 8.9 x 10-6 g/L pH 8; Temp: 25 °C (1) ACD Mass Solubility 6.3 x 10-5 g/L pH 9; Temp: 25 °C (1) ACD Mass Solubility 4.2 x 10-4 g/L pH 10; Temp: 25 °C (1) ACD Mass Solubility 3.2 x 10-6 g/L Unbuffered Water pH 7.00; Temp: 25 °C (1) ACD Molar Intrinsic Solubility 1.2 x 10-8 mol/L Temp: 25 °C (1) ACD Molar Solubility 3.5 x 10-6 mol/L pH 1; Temp: 25 °C (1) ACD Molar Solubility 1.1 x 10-7 mol/L pH 2; Temp: 25 °C (1) ACD Molar Solubility 1.0 x 10-8 mol/L pH 3; Temp: 25 °C (1) ACD Molar Solubility 3.4 x 10-9 mol/L pH 4; Temp: 25 °C (1) ACD Molar Solubility 2.7 x 10-9 mol/L pH 5; Temp: 25 °C (1) ACD Molar Solubility 2.7 x 10-9 mol/L pH 6; Temp: 25 °C (1) ACD Molar Solubility 3.2 x 10-9 mol/L pH 7; Temp: 25 °C (1) ACD
Property Value Condition Source Molar Solubility 9.0 x 10-9 mol/L pH 8; Temp: 25 °C (1) ACD Molar Solubility 6.4 x 10-8 mol/L pH 9; Temp: 25 °C (1) ACD Molar Solubility 4.2 x 10-7 mol/L pH 10; Temp: 25 °C (1) ACD Molar Solubility 3.2 x 10-9 mol/L Unbuffered Water pH 7.00; Temp: 25 °C (1) ACD Molecular Weight 988.19 pKa 7.87±0.43 Most Acidic Temp: 25 °C (1) ACD pKa 3.45±0.70 Most Basic Temp: 25 °C (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs) Property Value Condition Source Freely Rotatable Bonds 21 (1) ACD H Acceptors 15 (1) ACD H Donors 1 (1) ACD H Donor/Acceptor Sum 16 (1) ACD logP 11.845±0.715 Temp: 25 °C (1) ACD Molecular Weight 988.19
Property Value Condition Source Polar Surface Area 178 A2 (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs) Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)Spectra available 1 H NMR 13 C NMR
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