![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI) Ihe onyonyo egosipụtara](https://www.csnvchem.com/uploads/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)
Nọmba ndekọ CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 887.96 | - |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C
Isomeric SMILES
C (OC[C@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C @@H](OC) C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
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(50-34-5) 6)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/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
Igodo InChi
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Aha ndị ọzọ maka ihe a
Adenosine,Nbenzoyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI); 5 '-O-(4,4'-dimetoxytrityl) -N6-benzoyl-2′ -O-methyladenosine 3′- (2-cyanoethylN,N-diisopropylphosphoramidite
Spectra dị
13C NMR
Hetero NMR
Mass
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 4050 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.08 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.10 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 60800 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 1830 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 48700 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 4,91 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.52 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.90 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,91 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,57 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 5,78 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 95000 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 27500 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.01 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.43 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.44 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.93 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.02 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.02 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.94 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.51 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.72 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.18 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 9.038± 0.723 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.4 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.014 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.3 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.3 x 10-5 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.7 x 10-5 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-5 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-5 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.7 x 10-5 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.5 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.8 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.8 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.7 x 10-5 g/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.6 x 10-8 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-5 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.0 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.0 x 10-8 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-8 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 1.5 x 10-8 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 887.96 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 19 | (1) ACD | |
| H Ndị nnabata | 15 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 16 | (1) ACD | |
| logP | 9.038± 0.723 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 887.96 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 178 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
| Koodu | Nkwupụta egwu | Isi mmalite |
| H335 | Nwere ike ịkpata mgbakasị iku ume | Achọpụtara ọkachamara |
| Koodu | Nkwupụta egwu | Isi mmalite |
| H331 | Na-egbu egbu ma ọ bụrụ na ikuru ume | Achọpụtara ọkachamara |
| H319 | Na-ebute oke iwe anya | Achọpụtara ọkachamara |
| H315 | Na-ebute mgbakasị anụ ahụ | Achọpụtara ọkachamara |
| H311 | Nsi na kọntaktị na akpụkpọ ahụ | Achọpụtara ọkachamara |
| H301+H311+H331 | Na-egbu egbu ma ọ bụrụ na iloro ya, na kọntaktị na akpụkpọ ahụ ma ọ bụ ikuru ume | Achọpụtara ọkachamara |
| H301 | Na-egbu egbu ma ọ bụrụ na-eloda ya | Achọpụtara ọkachamara |
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