C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl) phenylmethyl]- (9CI, ACI)

ọja

C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl) phenylmethyl]- (9CI, ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn ohun-ini ti ara

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 546.57 -
Ibi Iyọ (Ayẹwo) 111-112 °C Ohun elo: Ethyl acetate
iwuwo (Asọtẹlẹ) 1.343 ± 0,06 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
Isomeric SMILES C (OC [C@H] 1O[C@H] ([C @ H] (O) [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/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
InChi Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Awọn orukọ miiran fun nkan yii
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] uridine (ACI); Uridine, 5'-O- [α, α-bis (p-methoxyphenyl) benzyl] - (7CI); 5'-Dimethoxytrityl uridine; 5'-O- (4,4'-Dimethoxytril) uridine

Esiperimenta Properties

Awọn ohun-ini ti o wa
Gbona

Gbona

Ohun ini Iye Ipo

Orisun

Ojuami Iyo 122-123 °C    

(1) CAS

Ojuami Iyo 111-112 °C Yiyọ: Ethyl acetate

(2) CAS

Ojuami Iyo Wo Ẹkunrẹrẹ Ọrọ    

(3) CAS

(1) Sekri, Negari; Iwe itẹjade ti Ẹgbẹ Kemikali ti Etiopia, (2010), 24 (2), 299-304, CAplus

(2) Patil, Premanand Ramrao; Iwe akosile ti Kemistri Carbohydrate, (2008), 27 (5), 279-293, CAplus

(3) Khalafi-Nezhad, Ali; Awọn lẹta Tetrahedron, (2004), 45 (36), 6737-6739, CAplus

Sipekitira esiperimenta

Spectra wa
1H NMR
13C 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 904 pH 1; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 904 pH 2; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 904 pH 3; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 904 pH 4; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 904 pH 5; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 904 pH 6; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 900 pH 7; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 861 pH 8; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 602 pH 9; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 156 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 4550 pH 1; Iwọn otutu: 25 °C (1) ACD
Koc 4550 pH 2; Iwọn otutu: 25 °C (1) ACD
Koc 4550 pH 3; Iwọn otutu: 25 °C (1) ACD
Koc 4550 pH 4; Iwọn otutu: 25 °C (1) ACD
Koc 4550 pH 5; Iwọn otutu: 25 °C (1) ACD
Koc 4540 pH 6; Iwọn otutu: 25 °C (1) ACD
Koc 4520 pH 7; Iwọn otutu: 25 °C (1) ACD
Koc 4330 pH 8; Iwọn otutu: 25 °C (1) ACD
Koc 3030 pH 9; Iwọn otutu: 25 °C (1) ACD
Koc 785 pH 10; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 1; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 2; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 3; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 4; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 5; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 6; Iwọn otutu: 25 °C (1) ACD
logD 4.19 pH 7; Iwọn otutu: 25 °C (1) ACD
logD 4.17 pH 8; Iwọn otutu: 25 °C (1) ACD
logD 4.02 pH 9; Iwọn otutu: 25 °C (1) ACD
logD 3.43 pH 10; Iwọn otutu: 25 °C (1) ACD
logP 4.192 ± 0.628 Iwọn otutu: 25 °C (1) ACD
Ibi Isolubu Agbekale 3.2 x 10-4 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 1; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 2; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 3; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 4; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 5; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 6; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L pH 7; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Ibi Solubility 3.3 x 10-4 g/L pH 8; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,8 x 10-4 g/L pH 9; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1,9 x 10-3 g/L pH 10; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.2 x 10-4 g/L Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 5.8 x 10-7 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 1; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 2; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 3; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 4; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 5; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 6; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L pH 7; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 6.1 x 10-7 mol/L pH 8; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.7 x 10-7 mol/L pH 9; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.4 x 10-6 mol/L pH 10; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 5.8 x 10-7 mol/L Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 546.57    
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 1.343 ± 0,06 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 406,9 ± 3,0 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 11   (1) ACD
H Awọn olugba 10   (1) ACD
H Awọn oluranlọwọ 3   (1) ACD
H Oluranlọwọ / Olugba Apapọ 13   (1) ACD
logP 4.192 ± 0.628 Iwọn otutu: 25 °C (1) ACD
 

 

Ohun ini Iye

Ipo

Orisun
Òṣuwọn Molikula 546.57

(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 127 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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