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C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)

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C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI) Immaġni Dehru
  • C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)

C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)

Informazzjoni Bażika:


Dettall tal-Prodott

Tags tal-Prodott

Dettall tas-Sustanza

Numru tar-Reġistru CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Proprjetajiet Fiżiċi Ewlenin Valur Kundizzjoni
Piż Molekulari 887.96 -
pKa (Imbassar) 7.87±0.43 L-aktar Temp Aċidiku: 25 °C

Ismijiet u Identifikaturi oħra

Tbissim Kanoniċi

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(OC)C=C7 )N(C(C)C)C(C)C

Tbissim iżomeriku

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/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(50-30-51-45(41)54)53-46(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

InChI Key

AZCGOTUYEPXHMJ-PSVHYZMASA-N

2 Ismijiet Oħra għal din is-Sustanza

Adenosine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-metil-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI); 5′ -O-(4,4′ -dimetossitritil)-N6-benzoyl-2′ -O-methyladenosine 3′ - (2-cyanoethylN,N-diisopropylphosphoramidite)

Spettri Sperimentali

Spettri disponibbli
13 C NMR
Etero NMR
Quddiesa

Proprjetajiet Mbassra

Proprjetajiet disponibbli
Bijoloġiċi
Kimika
Lipinski
Struttura Relatati

Bijoloġiċi

Proprjetà Valur Kundizzjoni Sors
Fattur tal-Bijokonċentrazzjoni 4050 pH 1; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.08 x 105 pH 2; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 3; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 4; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 5; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 6; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 7; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 1.00 x 106 pH 8; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 2.10 x 105 pH 9; Temp: 25 °C (1) ACD
Fattur tal-Bijokonċentrazzjoni 60800 pH 10; Temp: 25 °C (1) ACD

(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kimika

Proprjetà Valur Kundizzjoni Sors
Koc 1830 pH 1; Temp: 25 °C (1) ACD
Koc 48700 pH 2; Temp: 25 °C (1) ACD
Koc 4.91 x 105 pH 3; Temp: 25 °C (1) ACD
Koc 1.52 x 106 pH 4; Temp: 25 °C (1) ACD
Koc 1.90 x 106 pH 5; Temp: 25 °C (1) ACD
Koc 1.91 x 106 pH 6; Temp: 25 °C (1) ACD
Koc 1.57 x 106 pH 7; Temp: 25 °C (1) ACD

 

Proprjetà Valur Kundizzjoni Sors
Koc 5.78 x 105 pH 8; Temp: 25 °C (1) ACD
Koc 95000 pH 9; Temp: 25 °C (1) ACD
Koc 27500 pH 10; Temp: 25 °C (1) ACD
logD 6.01 pH 1; Temp: 25 °C (1) ACD
logD 7.43 pH 2; Temp: 25 °C (1) ACD
logD 8.44 pH 3; Temp: 25 °C (1) ACD
logD 8.93 pH 4; Temp: 25 °C (1) ACD
logD 9.02 pH 5; Temp: 25 °C (1) ACD
logD 9.02 pH 6; Temp: 25 °C (1) ACD
logD 8.94 pH 7; Temp: 25 °C (1) ACD
logD 8.51 pH 8; Temp: 25 °C (1) ACD
logD 7.72 pH 9; Temp: 25 °C (1) ACD
logD 7.18 pH 10; Temp: 25 °C (1) ACD
logP 9.038±0.723 Temp: 25 °C (1) ACD
Solubilità Intrinsika tal-Massa 1.4 x 10-5 g/L Temp: 25 °C (1) ACD
Solubilità tal-Massa 0.014 g/L pH 1; Temp: 25 °C (1) ACD
Solubilità tal-Massa 5.3 x 10-4 g/L pH 2; Temp: 25 °C (1) ACD
Solubilità tal-Massa 5.3 x 10-5 g/L pH 3; Temp: 25 °C (1) ACD
Solubilità tal-Massa 1.7 x 10-5 g/L pH 4; Temp: 25 °C (1) ACD
Solubilità tal-Massa 1.3 x 10-5 g/L pH 5; Temp: 25 °C (1) ACD
Solubilità tal-Massa 1.3 x 10-5 g/L pH 6; Temp: 25 °C (1) ACD
Solubilità tal-Massa 1.7 x 10-5 g/L pH 7; Temp: 25 °C (1) ACD
Solubilità tal-Massa 4.5 x 10-5 g/L pH 8; Temp: 25 °C (1) ACD
Solubilità tal-Massa 2.8 x 10-4 g/L pH 9; Temp: 25 °C (1) ACD
Solubilità tal-Massa 9.8 x 10-4 g/L pH 10; Temp: 25 °C (1) ACD
Solubilità tal-Massa 1.7 x 10-5 g/L Ilma mhux buffered pH 6.99; Temp: 25 °C (1) ACD
Solubilità Intrinsika Molari 1.6 x 10-8 mol/L Temp: 25 °C (1) ACD
Solubilità Molari 1.6 x 10-5 mol/L pH 1; Temp: 25 °C (1) ACD
Solubilità Molari 6.0 x 10-7 mol/L pH 2; Temp: 25 °C (1) ACD
Solubilità Molari 6.0 x 10-8 mol/L pH 3; Temp: 25 °C (1) ACD
Solubilità Molari 1.9 x 10-8 mol/L pH 4; Temp: 25 °C (1) ACD
Solubilità Molari 1.5 x 10-8 mol/L pH 5; Temp: 25 °C (1) ACD

 

Proprjetà Valur Kundizzjoni Sors
Solubilità Molari 1.5 x 10-8 mol/L pH 6; Temp: 25 °C (1) ACD
Solubilità Molari 1.9 x 10-8 mol/L pH 7; Temp: 25 °C (1) ACD
Solubilità Molari 5.1 x 10-8 mol/L pH 8; Temp: 25 °C (1) ACD
Solubilità Molari 3.1 x 10-7 mol/L pH 9; Temp: 25 °C (1) ACD
Solubilità Molari 1.1 x 10-6 mol/L pH 10; Temp: 25 °C (1) ACD
Solubilità Molari 1.9 x 10-8 mol/L Ilma mhux buffered pH 6.99; Temp: 25 °C (1) ACD
Piż Molekulari 887.96    
pKa 7.87±0.43 L-aktar Temp Aċidiku: 25 °C (1) ACD
pKa 3.45±0.70 L-aktar Temperatura Bażika: 25 °C (1) ACD

(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Proprjetà Valur Kundizzjoni Sors
Bonds li Jduru liberament 19   (1) ACD
H Aċċettaturi 15   (1) ACD
H Donaturi 1   (1) ACD
H Somma tad-Donatur/Aċċettatur 16   (1) ACD
logP 9.038±0.723 Temp: 25 °C (1) ACD
Piż Molekulari 887.96    

(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Struttura Relatati

Proprjetà Valur Sors tal-Kundizzjoni
Żona tal-wiċċ Polari 178 A2 (1) ACD

(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp tal-Kimika Avvanzata (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Spettri mbassra

Spettri disponibbli
1H NMR
13 C NMR

Dikjarazzjonijiet ta' Periklu tal-GHS

Kodiċi Dikjarazzjoni ta' Periklu Sors
H335 Jista' jikkawża irritazzjoni respiratorja Espert Curated

 

Kodiċi Dikjarazzjoni ta' Periklu Sors
H331 Tossiku jekk jittieħed man-nifs Espert Curated
H319 Jikkawża irritazzjoni serja tal-għajnejn Espert Curated
H315 Jikkawża irritazzjoni tal-ġilda Espert Curated
H311 Tossiku f'kuntatt mal-ġilda Espert Curated
H301+H311+H331 Tossiku jekk jinbela', f'kuntatt mal-ġilda jew meta jittieħed man-nifs Espert Curated
H301 Tossiku jekk jinbela' Espert Curated
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