![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://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Cas Subcriptio Number
251647-53-7
H302
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 932,01 | - |
| Pka (praedicta) | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C |
Canonica ridet
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 (O [c @@ h] I [C @@] (OP (N (c (C) c2) C (C. = c4. = (= c4) c4 c ^ = - c4 = c (= c4.) c4 = c (= c4.) c4 = c (c ^ =) c4 = c (c ^ =) c4 = c (= c4.) c4 = c (c ^ =) c ^ = c (c ^ =) c4 = c (c ^ =) c4 = c (= c4.) c4 = c (c ^ =) c ^ = c (= c4.) c4 = c (= c4.) c4 = c (c ^ =) c4 = c (= c4) c4 = c (= c4) c4 = c (c ^ =) c4 = c (= c4) c4 = c (c4 = c (c4 = (= c ^ c. = C = c (c) c = C5), (C6 = c (c) c = C6) C7 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 (XLV (XLIV) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (XLIII) LVI) 55-48 (LVIII) 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-, LXVII? / M1 / S1!
Key Inchi
VPBYBQBHlyrlhg, HDMAWCRFSA, N
XVI aliis nominibus pro hac substantia
Adenosine,N-benzoyl, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O- (II-methoxyethyl) - III, - [II-cyanoethyl bis (I-methylethyl)
Phosphoramidite] (9CI); XVI: PN: US20030211606 Page: XIX petita sequence; XVI: PN: US20030212017 Page: XX petita sequence; XVII: PN: US20040005569 Page: XXII petita sequence; XIX: PN: US20040006030 Page: XXIII petita sequence; XIX: PN: us20040014047
Page: XXI petita sequence; XIX: PN: US20040014049 Page: XXI petita sequence; XX: PN: US20040005570 Page: XX petita
Sequentia; XX: PN: US20040014048 Page: XXI petita sequence; XX: PN: US20040014050 Page: XX petita sequence; XXI: PN, U
S20040005565 Page: 17- XXII petita sequence; XXI: PN: US20040014051 Page: XXIII petita sequence; XXII: PN: US20040014699 Page: XX petita sequence; XXIII: PN: US20040006029 Page: XXIII petita sequence; XXIII: PN: Wo03106645 Page: LXXIII petita sequence; XCIV, P N: US20040005707 Page: XX petita sequence
Spectra praesto
I h NMR
XIII c NMR
Nmr hetero
Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MMDCLXXX | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (VII) D | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 7.21 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 8.48 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.39 x CV | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XL) CCC | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Koc | MCCCLX | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (XXXVI) CCC | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 3,66 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Koc | X 1.13 CVI | PH IV; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | 1.42 x CVI | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 1.42 x CVI | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | X CVI 1.17 | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 4.30 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (LXX) DCCC | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | (XX) D | PH X; Temp: XXV ° C | (I) ACD |
| logd | 5.77 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 7.20 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 8,20 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 8.69 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 8,79 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 8,79 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 8,71 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 8,27 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 7.49 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 6,95 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 8,803 ± 0.766 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 5.4 x 10-5 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.051 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-3 X 10-3 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 10-4 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 6.0 X 10-5 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-5 G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-5 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-5 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.6 x 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 9.3 x 10-4 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.7 x 10-5 g / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 5.8 x 10-8 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.5 x 10-5 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.0 X 10-6 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 2.0 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,4 x 10-8 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.1 X 10-8 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.1 X 10-8 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,2 x 10-8 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.0 X 10-6 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,9 x 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,1 X 10-8 Mol / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Pondus | 932,01 | ||
| PKA | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 3.45 ± 0.70 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 22 | (I) ACD | |
| H acceptors | 16 | (I) ACD | |
| H donos | 1 | (I) ACD | |
| H donator / Acceptor Sum | 17 | (I) ACD | |
| logp | 8,803 ± 0.766 | Temp: XXV ° C | (I) ACD |
| Pondus | 932,01 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Source |
| Polar superficies regio | CLXXXVII A2 | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
I h NMR
XIII c NMR
| Code aleam dicitur Source | |
| H302 nocivis, si absorbuit | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Suspendisse, Europae Chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Suspendisse |
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