Home Products C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Shop the highest quality ACI at our factory. Our product, Adenosine, is N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite].
Request a Quote
PRODUCTS DETAILS
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
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)(C6=CC=C(OC)C=C6)C7=CC=CC=C7 InChI InChI= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1/s1 InChI Key VPBYBQBHLYRLHG-HDMAWCRFSA-N 16 Other Names for this Substance Adenosine, N -benzoyl-5′ -O - [bis(4-methoxyphenyl)phenylmethyl]-2′ -O -(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI); 16: PN: US20030211606 PAGE: 19 claimed sequence; 16: PN: US20030212017 PAGE: 20 claimed sequence; 17: PN: US20040005569 PAGE: 22 claimed sequence; 19: PN: US20040006030 PAGE: 23 claimed sequence; 19: PN: US20040014047 PAGE: 21 claimed sequence; 19: PN: US20040014049 PAGE: 21 claimed sequence; 20: PN: US20040005570 PAGE: 20 claimed sequence; 20: PN: US20040014048 PAGE: 21 claimed sequence; 20: PN: US20040014050 PAGE: 20 claimed sequence; 21: PN: U S20040005565 PAGE: 17- 22 claimed sequence; 21: PN: US20040014051 PAGE: 23 claimed sequence; 22: PN: US20040014699 PAGE: 20 claimed sequence; 23: PN: US20040006029 PAGE: 23 claimed sequence; 23: PN: WO03106645 PAGE: 73 claimed sequence; 94: P N: US20040005707 PAGE: 20 claimed sequenceSpectra available 1 H NMR 13 C NMR Hetero NMR Properties available Biological Chemical Lipinski Structure Related Property Value Condition Source Bioconcentration Factor 2680 pH 1; Temp: 25 °C (1) ACD Bioconcentration Factor 71500 pH 2; Temp: 25 °C (1) ACD Bioconcentration Factor 7.21 x 105 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 8.48 x 105 pH 8; Temp: 25 °C (1) ACD Bioconcentration Factor 1.39 x 105 pH 9; Temp: 25 °C (1) ACD Bioconcentration Factor 40300 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 1360 pH 1; Temp: 25 °C (1) ACD Koc 36300 pH 2; Temp: 25 °C (1) ACD Koc 3.66 x 105 pH 3; Temp: 25 °C (1) ACD Koc 1.13 x 106 pH 4; Temp: 25 °C (1) ACD
Property Value Condition Source Koc 1.42 x 106 pH 5; Temp: 25 °C (1) ACD Koc 1.42 x 106 pH 6; Temp: 25 °C (1) ACD Koc 1.17 x 106 pH 7; Temp: 25 °C (1) ACD Koc 4.30 x 105 pH 8; Temp: 25 °C (1) ACD Koc 70800 pH 9; Temp: 25 °C (1) ACD Koc 20500 pH 10; Temp: 25 °C (1) ACD logD 5.77 pH 1; Temp: 25 °C (1) ACD logD 7.20 pH 2; Temp: 25 °C (1) ACD logD 8.20 pH 3; Temp: 25 °C (1) ACD logD 8.69 pH 4; Temp: 25 °C (1) ACD logD 8.79 pH 5; Temp: 25 °C (1) ACD logD 8.79 pH 6; Temp: 25 °C (1) ACD logD 8.71 pH 7; Temp: 25 °C (1) ACD logD 8.27 pH 8; Temp: 25 °C (1) ACD logD 7.49 pH 9; Temp: 25 °C (1) ACD logD 6.95 pH 10; Temp: 25 °C (1) ACD logP 8.803±0.766 Temp: 25 °C (1) ACD Mass Intrinsic Solubility 5.4 x 10-5 g/L Temp: 25 °C (1) ACD Mass Solubility 0.051 g/L pH 1; Temp: 25 °C (1) ACD Mass Solubility 1.9 x 10-3 g/L pH 2; Temp: 25 °C (1) ACD Mass Solubility 1.9 x 10-4 g/L pH 3; Temp: 25 °C (1) ACD Mass Solubility 6.0 x 10-5 g/L pH 4; Temp: 25 °C (1) ACD Mass Solubility 4.8 x 10-5 g/L pH 5; Temp: 25 °C (1) ACD Mass Solubility 4.8 x 10-5 g/L pH 6; Temp: 25 °C (1) ACD Mass Solubility 5.8 x 10-5 g/L pH 7; Temp: 25 °C (1) ACD Mass Solubility 1.6 x 10-4 g/L pH 8; Temp: 25 °C (1) ACD Mass Solubility 9.3 x 10-4 g/L pH 9; Temp: 25 °C (1) ACD Mass Solubility 3.6 x 10-3 g/L pH 10; Temp: 25 °C (1) ACD Mass Solubility 5.7 x 10-5 g/L Unbuffered Water pH 6.97; Temp: 25 °C (1) ACD Molar Intrinsic Solubility 5.8 x 10-8 mol/L Temp: 25 °C (1) ACD Molar Solubility 5.5 x 10-5 mol/L pH 1; Temp: 25 °C (1) ACD Molar Solubility 2.0 x 10-6 mol/L pH 2; Temp: 25 °C (1) ACD
Property Value Condition Source Molar Solubility 2.0 x 10-7 mol/L pH 3; Temp: 25 °C (1) ACD Molar Solubility 6.4 x 10-8 mol/L pH 4; Temp: 25 °C (1) ACD Molar Solubility 5.1 x 10-8 mol/L pH 5; Temp: 25 °C (1) ACD Molar Solubility 5.1 x 10-8 mol/L pH 6; Temp: 25 °C (1) ACD Molar Solubility 6.2 x 10-8 mol/L pH 7; Temp: 25 °C (1) ACD Molar Solubility 1.7 x 10-7 mol/L pH 8; Temp: 25 °C (1) ACD Molar Solubility 1.0 x 10-6 mol/L pH 9; Temp: 25 °C (1) ACD Molar Solubility 3.9 x 10-6 mol/L pH 10; Temp: 25 °C (1) ACD Molar Solubility 6.1 x 10-8 mol/L Unbuffered Water pH 6.97; Temp: 25 °C (1) ACD Molecular Weight 932.01 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 22 (1) ACD H Acceptors 16 (1) ACD H Donors 1 (1) ACD H Donor/Acceptor Sum 17 (1) ACD logP 8.803±0.766 Temp: 25 °C (1) ACD Molecular Weight 932.01
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs) Property Value Condition Source Polar Surface Area 187 A2 (1) ACD
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)Spectra available 1 H NMR 13 C NMR Code Hazard Statement Source H302 Harmful if swallowed European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications
Hot Products
O-Benzylhydroxylamine Hydrochloride 95%
4-Bromo-3-nitroanisole
Methyl 2-bromo-4-fluorobenzoate 98%
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
2,3-Diaminopyridine
4,5-Dichloro-3(2H)-pyridazinone 98% min
C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino]- (ACI)
C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
Acrylic acid, ester series polymerization inhibitor Phenothiazine
C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://kehu02.grofrom.com/www.nvchemjs.net/6679757606f50baf4288ee7191ece757.png)
![C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino]- (ACI)](http://kehu02.grofrom.com/www.nvchemjs.net/2cb6b92701c80e30e0dfeb473b2729ab.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ - deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](http://kehu02.grofrom.com/www.nvchemjs.net/491ab4e531b7ad7730cb2cef2931e798.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](http://kehu02.grofrom.com/www.nvchemjs.net/b5ae10ea415f7e17ff44a1b052dd54d3.png)