118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1- dimethylethyl) dimethylsilyl]- (9CI, ACI)

ọja

118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1- dimethylethyl) dimethylsilyl]- (9CI, ACI)

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ọja Tags

Awọn ohun-ini ti ara

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 660.83 -
iwuwo (Asọtẹlẹ) 1,24 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr
pKa (Asọtẹlẹ) 9.39 ± 0.10 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

SILES Canonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O[Si](C)(C)C(C)(C)C
ISOMERIC SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C( =O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChI=1S/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
InChi Key
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Awọn orukọ miiran fun nkan yii
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI);2'-O-tert-Butyldimethylsilyl-5'-O- (4,4'- dimethoxytril) uridine

Sipekitira esiperimenta

Spectra wa
1H NMR
13C NMR
Hetero NMR
Ibi

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 2.21 x 105 pH 1;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.21 x 105 pH 2;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.21 x 105 pH 3;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.21 x 105 pH 4;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.21 x 105 pH 5;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.21 x 105 pH 6;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.20 x 105 pH 7;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2.12 x 105 pH 8;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1,54 x 105 pH 9;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 42500 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 2.33 x 105 pH 1;Iwọn otutu: 25 °C (1) ACD
Koc 2.33 x 105 pH 2;Iwọn otutu: 25 °C (1) ACD
Koc 2.33 x 105 pH 3;Iwọn otutu: 25 °C (1) ACD
Koc 2.33 x 105 pH 4;Iwọn otutu: 25 °C (1) ACD
Koc 2.33 x 105 pH 5;Iwọn otutu: 25 °C (1) ACD
Koc 2.33 x 105 pH 6;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 2.32 x 105 pH 7;Iwọn otutu: 25 °C (1) ACD
Koc 2.23 x 105 pH 8;Iwọn otutu: 25 °C (1) ACD
Koc 1,62 x 105 pH 9;Iwọn otutu: 25 °C (1) ACD
Koc 44800 pH 10;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 1;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 2;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 3;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 4;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 5;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 6;Iwọn otutu: 25 °C (1) ACD
logD 7.33 pH 7;Iwọn otutu: 25 °C (1) ACD
logD 7.32 pH 8;Iwọn otutu: 25 °C (1) ACD
logD 7.18 pH 9;Iwọn otutu: 25 °C (1) ACD
logD 6.62 pH 10;Iwọn otutu: 25 °C (1) ACD
logP 7.334 ± 0.643 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 3.5 x 10-5 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 1;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 2;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 3;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 4;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 5;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 6;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L pH 7;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.6 x 10-5 g/L pH 8;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.0 x 10-5 g/L pH 9;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,9 x 10-4 g/L pH 10;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.5 x 10-5 g/L Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 5.3 x 10-8 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 1;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 2;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 3;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 4;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 5.3 x 10-8 mol/L pH 5;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 6;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L pH 7;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.5 x 10-8 mol/L pH 8;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 7.6 x 10-8 mol/L pH 9;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2,8 x 10-7 mol/L pH 10;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.3 x 10-8 mol/L Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 660.83    
pKa 9.39 ± 0.10 Pupọ Epo 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 1,24 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 528,8 ± 5,0 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 13   (1) ACD
H Awọn olugba 10   (1) ACD
H Awọn oluranlọwọ 2   (1) ACD
H Oluranlọwọ / Olugba Apapọ 12   (1) ACD
logP 7.334 ± 0.643 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 660.83    

(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 116 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


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