C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)

ọja

C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)

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Awọn ohun-ini ti ara

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 617.69 -
Oju Ise (Asọtẹlẹ) 762,6 ± 70,0 °C Tẹ: 760 Torr
iwuwo (Asọtẹlẹ) 1,27 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr
pKa (Asọtẹlẹ) 13.31 ± 0.70 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

SILES Canonical O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C (O)C2OCCOC)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4 )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32- / m1 / s1
InChi Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Awọn orukọ miiran fun nkan yii
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI);11: PN: US20030170636 EWE: 17 so RNA;12: PN: US20030211606 EWE: 18 so R NA;12: PN: US20030212017 EWE: 19 so R NA;14: PN: US20040005569 PAG E: 21 beere R NA;15: PN: US20040005565 EWE: 17- 22 ti o ni ẹtọ RNA;15: PN: US20040005570 EWE: 19 so R NA;15: PN: U S20040006030 EWE: 22 so R NA;15: PN: US20040014048 EWE: 19 so R NA;16: PN: US20030171313 OJU: 9 ti o ni ẹtọ RNA;16: PN: US20030198965 EWE: 19 so R NA;16: PN: US20040014047 EWE: 19 so R NA;16: PN: US20040014049 OJU:

19 beere RNA;17: PN: US20040014051 EWE: 21 so R NA;17: PN: US20040014699 EWE: 19 so R NA;17: PN: W
O03106645 EWE: 69 so R NA;18: PN: US20040006029 EWE: 22 so R NA;2'-O-Methoxyethyl-5'-O-dimethoxytril-5- methylcytidine;58: PN: US20030166592 EWE: 15 so R NA;5: PN: WO2005006958 EWE: 61 so R NA;7: PN: WO20050 07825 EWE: 61 so R NA;82: PN: US20040171566 EWE: 18 so R NA;89: PN: US20040005707 EWE: 19 so R NA;9: PN: WO03084478 EWE: 56 so R NA

Awọn ohun-ini asọtẹlẹ

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

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 1.56 pH 1;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.99 pH 2;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 6.19 pH 3;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 38.0 pH 4;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 116 pH 5;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 146 pH 6;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 150 pH 7;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 151 pH 8;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 151 pH 9;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 151 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 13.0 pH 1;Iwọn otutu: 25 °C (1) ACD
Koc 16.6 pH 2;Iwọn otutu: 25 °C (1) ACD
Koc 51.8 pH 3;Iwọn otutu: 25 °C (1) ACD
Koc 318 pH 4;Iwọn otutu: 25 °C (1) ACD
Koc 966 pH 5;Iwọn otutu: 25 °C (1) ACD
Koc 1220 pH 6;Iwọn otutu: 25 °C (1) ACD
Koc 1260 pH 7;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 1260 pH 8;Iwọn otutu: 25 °C (1) ACD
Koc 1260 pH 9;Iwọn otutu: 25 °C (1) ACD
Koc 1260 pH 10;Iwọn otutu: 25 °C (1) ACD
logD 1.18 pH 1;Iwọn otutu: 25 °C (1) ACD
logD 1.29 pH 2;Iwọn otutu: 25 °C (1) ACD
logD 1.78 pH 3;Iwọn otutu: 25 °C (1) ACD
logD 2.57 pH 4;Iwọn otutu: 25 °C (1) ACD
logD 3.05 pH 5;Iwọn otutu: 25 °C (1) ACD
logD 3.16 pH 6;Iwọn otutu: 25 °C (1) ACD
logD 3.17 pH 7;Iwọn otutu: 25 °C (1) ACD
logD 3.17 pH 8;Iwọn otutu: 25 °C (1) ACD
logD 3.17 pH 9;Iwọn otutu: 25 °C (1) ACD
logD 3.17 pH 10;Iwọn otutu: 25 °C (1) ACD
logP 3.169 ± 0.598 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 5.2 x 10-3 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.51 g/L pH 1;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.40 g/L pH 2;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.13 g/L pH 3;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.020 g/L pH 4;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 6,8 x 10-3 g/L pH 5;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.4 x 10-3 g/L pH 6;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.3 x 10-3 g/L pH 7;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.2 x 10-3 g/L pH 8;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.2 x 10-3 g/L pH 9;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.2 x 10-3 g/L pH 10;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.3 x 10-3 g/L Omi ti a ko fi silẹ pH 7.05;Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 8.4 x 10-6 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.2 x 10-4 mol/L pH 1;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 6.4 x 10-4 mol/L pH 2;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 2.1 x 10-4 mol/L pH 3;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 3.3 x 10-5 mol/L pH 4;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.1 x 10-5 mol/L pH 5;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 8.7 x 10-6 mol/L pH 6;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L pH 7;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 8;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 9;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 10;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L Omi ti a ko fi silẹ pH 7.05;Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 617.69    
pKa 13.31 ± 0.70 Pupọ Epo otutu: 25 °C (1) ACD
pKa 4.58± 0.10 Pupọ Ipilẹ otutu: 25 °C (1) ACD
Oru Ipa 1,89 x 10-24 Torr 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)

iwuwo

Ohun ini Iye Ipo Orisun
iwuwo 1,27 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 483,8 ± 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 11   (1) ACD
H Awọn oluranlọwọ 3   (1) ACD
H Oluranlọwọ / Olugba Apapọ 14   (1) ACD
logP 3.169 ± 0.598 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 617.69    

(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 134 A2 (1) ACD

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

Gbona

Ohun ini Iye Ipo Orisun
Ojuami farabale 762,6 ± 70,0 °C Tẹ: 760 Torr (1) ACD
Enthalpy ti Vaporization 116,53 ± 3,0 kJ / mol Tẹ: 760 Torr (1) ACD
Oju filaṣi 415,0 ± 35,7 °C   (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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