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

sehlahisoa

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

Lintlha tsa Motheo:


Lintlha tsa Sehlahisoa

Li-tag tsa Sehlahisoa

Tlhaloso ea Lintho

Nomoro ea Registry ea CAS

110782-31-5

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

Lintho Tsa Bohlokoa Tsa 'Mele Boleng Boemo
Boima ba Molek'hule 887.96 -
pKa (E boletsoeng esale pele) 7.87±0.43 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C

Mabitso a Mang le Litlhahiso

Canonical POSISO

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

Isomeric SOSOA

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

Senotlolo sa InChi

AZCGOTUYEPXHMJ-PSVHYZMASA-N

2 Mabitso a Mang a Ntho ena

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

Spectra ea Teko

Spectra e fumaneha
13 C NMR
Hetero NMR
Mmisa

Thepa e boletsoeng esale pele

Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Lipinski
Sebopeho se Amanang

Likokoana-hloko

Thepa Boleng Boemo Mohloli
Bioconcentration Factor 4050 pH 1; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.08 x 105 pH 2; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 3; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 4; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 5; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 6; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 7; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.00 x 106 pH 8; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 2.10 x 105 pH 9; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 60800 pH 10; Mocheso: 25 °C (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lik'hemik'hale

Thepa Boleng Boemo Mohloli
Koc 1830 pH 1; Mocheso: 25 °C (1) ACD
Koc 48700 pH 2; Mocheso: 25 °C (1) ACD
Koc 4.91 x 105 pH 3; Mocheso: 25 °C (1) ACD
Koc 1.52 x 106 pH 4; Mocheso: 25 °C (1) ACD
Koc 1.90 x 106 pH 5; Mocheso: 25 °C (1) ACD
Koc 1.91 x 106 pH 6; Mocheso: 25 °C (1) ACD
Koc 1.57 x 106 pH 7; Mocheso: 25 °C (1) ACD

 

Thepa Boleng Boemo Mohloli
Koc 5.78 x 105 pH 8; Mocheso: 25 °C (1) ACD
Koc 95000 pH 9; Mocheso: 25 °C (1) ACD
Koc 27500 pH 10; Mocheso: 25 °C (1) ACD
logD 6.01 pH 1; Mocheso: 25 °C (1) ACD
logD 7.43 pH 2; Mocheso: 25 °C (1) ACD
logD 8.44 pH 3; Mocheso: 25 °C (1) ACD
logD 8.93 pH 4; Mocheso: 25 °C (1) ACD
logD 9.02 pH 5; Mocheso: 25 °C (1) ACD
logD 9.02 pH 6; Mocheso: 25 °C (1) ACD
logD 8.94 pH 7; Mocheso: 25 °C (1) ACD
logD 8.51 pH 8; Mocheso: 25 °C (1) ACD
logD 7.72 pH 9; Mocheso: 25 °C (1) ACD
logD 7.18 pH 10; Mocheso: 25 °C (1) ACD
logP 9.038±0.723 Mocheso: 25 °C (1) ACD
Mass Intrinsic Sollubility 1.4 x 10-5 g/L Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 0.014 g/L pH 1; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 5.3 x 10-4 g/L pH 2; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 5.3 x 10-5 g/L pH 3; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.7 x 10-5 g/L pH 4; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.3 x 10-5 g/L pH 5; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.3 x 10-5 g/L pH 6; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.7 x 10-5 g/L pH 7; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 4.5 x 10-5 g/L pH 8; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 2.8 x 10-4 g/L pH 9; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 9.8 x 10-4 g/L pH 10; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 1.7 x 10-5 g/L Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C (1) ACD
Molar Intrinsic Solubility 1.6 x 10-8 mol/L Mocheso: 25 °C (1) ACD
Molar Solubility 1.6 x 10-5 mol/L pH 1; Mocheso: 25 °C (1) ACD
Molar Solubility 6.0 x 10-7 mol/L pH 2; Mocheso: 25 °C (1) ACD
Molar Solubility 6.0 x 10-8 mol/L pH 3; Mocheso: 25 °C (1) ACD
Molar Solubility 1.9 x 10-8 mol/L pH 4; Mocheso: 25 °C (1) ACD
Molar Solubility 1.5 x 10-8 mol/L pH 5; Mocheso: 25 °C (1) ACD

 

Thepa Boleng Boemo Mohloli
Molar Solubility 1.5 x 10-8 mol/L pH 6; Mocheso: 25 °C (1) ACD
Molar Solubility 1.9 x 10-8 mol/L pH 7; Mocheso: 25 °C (1) ACD
Molar Solubility 5.1 x 10-8 mol/L pH 8; Mocheso: 25 °C (1) ACD
Molar Solubility 3.1 x 10-7 mol/L pH 9; Mocheso: 25 °C (1) ACD
Molar Solubility 1.1 x 10-6 mol/L pH 10; Mocheso: 25 °C (1) ACD
Molar Solubility 1.9 x 10-8 mol/L Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C (1) ACD
Boima ba Molek'hule 887.96    
pKa 7.87±0.43 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C (1) ACD
pKa 3.45±0,70 Mocheso ka ho Fetisisa oa Motheo: 25 °C (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Thepa Boleng Boemo Mohloli
Li-Bonds tse ka fetolehang ka bolokolohi 19   (1) ACD
H Ba amohelang 15   (1) ACD
H Bafani 1   (1) ACD
H Kakaretso ea Mofani/Moamoheli 16   (1) ACD
logP 9.038±0.723 Mocheso: 25 °C (1) ACD
Boima ba Molek'hule 887.96    

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Sebopeho se Amanang

Thepa Boleng Mohloli oa Boemo
Sebaka sa Polar Surface 178 A2 (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra e boletsoeng esale pele

Spectra e fumaneha
1 H NMR
13 C NMR

Lipolelo tsa Kotsi tsa GHS

Khoutu Polelo ea Kotsi Mohloli
H335 E ka baka ho teneha ha moea Setsebi Curated

 

Khoutu Polelo ea Kotsi Mohloli
H331 E chefo ha e hema Setsebi Curated
H319 E baka ho teneha ho hoholo ha mahlo Setsebi Curated
H315 E baka ho teneha ha letlalo Setsebi Curated
H311 Chefo e amanang le letlalo Setsebi Curated
H301+H311+H331 E chefo ha e koetsoe, ha e kopana le letlalo kapa ha e bululetsoe Setsebi Curated
H301 E chefo haeba e koetsoe Setsebi Curated

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