C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)

ọja

C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn ohun-ini ti ara

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 787.98 -
iwuwo (Asọtẹlẹ) 1,23 ± 0,1 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr
pKa (Asọtẹlẹ) 7,87 ± 0,43 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

Ẹ̀RẸ̀ KẸ̀LẸ̀
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
ISOMERIC SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)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/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27-) 46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31 -18-22-33 (52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42 ,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChi Key
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Awọn orukọ miiran fun nkan yii
N-Benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-Benzoyl-5′-O- (4,4′- dimethoxytril)-2′-O-(tert-butyldimethylsilyl) adenosine

Sipekitira esiperimenta

Spectra wa
1H NMR
Hetero NMR

Awọn ohun-ini asọtẹlẹ

Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 1,00 x 106 pH 1; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 2; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 3; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 4; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 5; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 6; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 7; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 8; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,00 x 106 pH 9; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 5.41 x 105 pH 10; Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Ohun ini Iye Ipo Orisun
Koc 2.01 x 106 pH 1; Iwọn otutu: 25 °C (1) ACD
Koc 6,87 x 106 pH 2; Iwọn otutu: 25 °C (1) ACD
Koc 9.08 x 106 pH 3; Iwọn otutu: 25 °C (1) ACD
Koc 9.38 x 106 pH 4; Iwọn otutu: 25 °C (1) ACD
Koc 9.39 x 106 pH 5; Iwọn otutu: 25 °C (1) ACD
Koc 9.19 x 106 pH 6; Iwọn otutu: 25 °C (1) ACD
Koc 7.53 x 106 pH 7; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 2.73 x 106 pH 8; Iwọn otutu: 25 °C (1) ACD
Koc 4,48 x 105 pH 9; Iwọn otutu: 25 °C (1) ACD
Koc 1,31 x 105 pH 10; Iwọn otutu: 25 °C (1) ACD
logD 9.62 pH 1; Iwọn otutu: 25 °C (1) ACD
logD 10.15 pH 2; Iwọn otutu: 25 °C (1) ACD
logD 10.27 pH 3; Iwọn otutu: 25 °C (1) ACD
logD 10.29 pH 4; Iwọn otutu: 25 °C (1) ACD
logD 10.29 pH 5; Iwọn otutu: 25 °C (1) ACD
logD 10.28 pH 6; Iwọn otutu: 25 °C (1) ACD
logD 10.19 pH 7; Iwọn otutu: 25 °C (1) ACD
logD 9.75 pH 8; Iwọn otutu: 25 °C (1) ACD
logD 8.97 pH 9; Iwọn otutu: 25 °C (1) ACD
logD 8.43 pH 10; Iwọn otutu: 25 °C (1) ACD
logP 10.291 ± 0.708 Iwọn otutu: 25 °C (1) ACD
Ibi Isolubu Agbekale 1,1 x 10-6 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,8 x 10-6 g/L pH 1; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,4 x 10-6 g/L pH 2; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,1 x 10-6 g/L pH 3; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1.0 x 10-6 g/L pH 4; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1.0 x 10-6 g/L pH 5; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1.0 x 10-6 g/L pH 6; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,3 x 10-6 g/L pH 7; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-6 g/L pH 8; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.2 x 10-5 g/L pH 9; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 7.6 x 10-5 g/L pH 10; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,3 x 10-6 g/L Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 1,4 x 10-9 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 6.1 x 10-9 mol/L pH 1; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,8 x 10-9 mol/L pH 2; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,4 x 10-9 mol/L pH 3; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.3 x 10-9 mol/L pH 4; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.3 x 10-9 mol/L pH 5; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 1.3 x 10-9 mol/L pH 6; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,6 x 10-9 mol/L pH 7; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.5 x 10-9 mol/L pH 8; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.8 x 10-8 mol/L pH 9; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 9.6 x 10-8 mol/L pH 10; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,6 x 10-9 mol/L Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 787.98    
pKa 7,87 ± 0,43 Pupọ Epo otutu: 25 °C (1) ACD
pKa 1.39 ± 0.10 Pupọ Ipilẹ otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

iwuwo

Ohun ini Iye Ipo Orisun
iwuwo 1,23 ± 0,1 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 639,5 ± 7,0 cm3 / mol Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ohun ini Iye Ipo Orisun
Larọwọto Rotatable Bonds 14   (1) ACD
H Awọn olugba 12   (1) ACD
H Awọn oluranlọwọ 2   (1) ACD
H Oluranlọwọ / Olugba Apapọ 14   (1) ACD
logP 10.291 ± 0.708 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 787.98    

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ilana Jẹmọ

Ohun ini Iye

Ipo

Orisun
Pola dada Area 139 A2 (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra asọtẹlẹ

Spectra wa
1H NMR
13C NMR


  • Ti tẹlẹ:
  • Itele:

  • Kọ ifiranṣẹ rẹ nibi ki o si fi si wa