C43H55N4O10P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methox yethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-) methylethyl) phosphor amidite] (ACI)

ọja

C43H55N4O10P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methox yethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-) methylethyl) phosphor amidite] (ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn alaye nkan elo

Nọmba iforukọsilẹ CAS

163878-63-5

H302

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 818.89 -
pKa (Asọtẹlẹ) 9.55± 0.10 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

Ẹ̀RẸ̀ KẸ̀LẸ̀

N#CCCOP(OC1C(OC(N2C=C(C(=O))NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C

ISOMERIC SMILES

C(OC[C@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5= CC=CC=C5

InChi

InChi = 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15) -19-35 (51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1

InChi Key

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Awọn orukọ miiran fun nkan yii

Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) - 5-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphor

amidite] (9CI);10: PN: US20030212017 EWE: 18 so RNA;11: PN: US20030211606 EWE: 18 so RNA;13: PN: US20040

005569 OJU: 21 ti o ni ẹtọ RNA;13: PN: US20040006030 OJU: 22 ti o ni ẹtọ RNA;13: PN: US20040014048 OJU: 19 ti o ni ẹtọ RNA;13: PN: US20040014049 OJU: 19 ti o ni ẹtọ RNA;14: PN: US20030198965 EWE: 19 so RNA;14: PN: US20040005565 EWE: 17- 22 ti o ni ẹtọ RNA;14: PN: US20040005570 OJU: 19 ti o ni ẹtọ RNA;14: PN: US20040014047 EWE: 19 so RNA;14: PN: US20040

014699 EWE: 19 ti o ni ẹtọ RNA;15: PN: US20040014050 OJU: 19 ti o ni ẹtọ RNA;15: PN: US20040014051 OJU: 21 ti o ni ẹtọ RNA;15:

PN: WO03106645 EWE: 69 so RNA;16: PN: US20040006029 OJU: 22 ti o ni ẹtọ RNA;87: PN: US20040005707 OJU: 19 ti o ni ẹtọ RNA

Sipekitira esiperimenta

Spectra wa
1 H NMR
13 C NMR
Hetero NMR

Awọn ohun-ini asọtẹlẹ

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

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 348 pH 1;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 2810 pH 2;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 21100 pH 3;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 63100 pH 4;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 78800 pH 5;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 80800 pH 6;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 80800 pH 7;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 78800 pH 8;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 63400 pH 9;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 21800 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 487 pH 1;Iwọn otutu: 25 °C (1) ACD
Koc 3940 pH 2;Iwọn otutu: 25 °C (1) ACD
Koc 29600 pH 3;Iwọn otutu: 25 °C (1) ACD
Koc 88400 pH 4;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 1.10 x 105 pH 5;Iwọn otutu: 25 °C (1) ACD
Koc 1.13 x 105 pH 6;Iwọn otutu: 25 °C (1) ACD
Koc 1.13 x 105 pH 7;Iwọn otutu: 25 °C (1) ACD
Koc 1.10 x 105 pH 8;Iwọn otutu: 25 °C (1) ACD
Koc 88800 pH 9;Iwọn otutu: 25 °C (1) ACD
Koc 30600 pH 10;Iwọn otutu: 25 °C (1) ACD
logD 4.39 pH 1;Iwọn otutu: 25 °C (1) ACD
logD 5.30 pH 2;Iwọn otutu: 25 °C (1) ACD
logD 6.18 pH 3;Iwọn otutu: 25 °C (1) ACD
logD 6.65 pH 4;Iwọn otutu: 25 °C (1) ACD
logD 6.75 pH 5;Iwọn otutu: 25 °C (1) ACD
logD 6.76 pH 6;Iwọn otutu: 25 °C (1) ACD
logD 6.76 pH 7;Iwọn otutu: 25 °C (1) ACD
logD 6.75 pH 8;Iwọn otutu: 25 °C (1) ACD
logD 6.65 pH 9;Iwọn otutu: 25 °C (1) ACD
logD 6.19 pH 10;Iwọn otutu: 25 °C (1) ACD
logP 6.761± 0.669 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 2.0 x 10-4 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.046 g/L pH 1;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.7 x 10-3 g/L pH 2;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 7.6 x 10-4 g/L pH 3;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2,5 x 10-4 g/L pH 4;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.0 x 10-4 g/L pH 5;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.0 x 10-4 g/L pH 6;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.0 x 10-4 g/L pH 7;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.0 x 10-4 g/L pH 8;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2,5 x 10-4 g/L pH 9;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 7.4 x 10-4 g/L pH 10;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 2.0 x 10-4 g/L Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 2.4 x 10-7 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.6 x 10-5 mol/L pH 1;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 7.0 x 10-6 mol/L pH 2;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 9.3 x 10-7 mol/L pH 3;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.1 x 10-7 mol/L pH 4;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.5 x 10-7 mol/L pH 5;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.4 x 10-7 mol/L pH 6;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.4 x 10-7 mol/L pH 7;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.5 x 10-7 mol/L pH 8;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.1 x 10-7 mol/L pH 9;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 9.0 x 10-7 mol/L pH 10;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.4 x 10-7 mol/L Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 818.89    
pKa 9.55± 0.10 Pupọ Epo otutu: 25 °C (1) ACD
pKa 3,45 ± 0,70 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)

Lipinski

Ohun ini Iye Ipo Orisun
Larọwọto Rotatable Bonds 21   (1) ACD
H Awọn olugba 14   (1) ACD
H Awọn oluranlọwọ 1   (1) ACD
H Oluranlọwọ / Olugba Apapọ 15   (1) ACD
logP 6.761± 0.669 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 818.89    

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

Ilana Jẹmọ

Ohun ini Iye Orisun ipo
Pola dada Area 164 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
1 H NMR
13 C NMR

GHS Ewu Gbólóhùn

Orisun Gbólóhùn Ewu koodu
H302 Ipalara ti o ba gbe Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami

Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA)

Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ


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