![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315 Aworan Afihan](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 721.80 | - |
| Ibi Iyọ (Ayẹwo) | 107-110 °C | - |
| iwuwo (Asọtẹlẹ) | 1,26 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 8.60 ± 0.40 | Pupọ Epo otutu: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
ISOMERIC SMILES
C
InChi
InChi=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39- / m1 / s1
InChi Key
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Awọn orukọ miiran fun nkan yii
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 EWE: 57 so RNA; 12: PN: US20030170636 EWE: 17 so R NA; 13: PN: US20030212017 EWE: 19 so R NA; 14: PN: US20030
211606 EWE: 19 so R NA; 15: PN: US20040005569 EWE: 22 so R NA; 16: PN: US20040006030 EWE: 22 so R NA; 16: PN: US20040014048 EWE: 20 so R NA; 17: PN: US20030171313 EWE: 9 so R NA; 17: PN: US20040005565 EWE: 17- 22 ti o ni ẹtọ RNA; 17: PN: US20040005570 EWE: 20 so R NA; 17: PN: US20040014047 EWE: 20 so R NA; 17: PN: US20040 014050 EWE: 20 so R NA; 18: PN: US20030198965 EWE: 19 so R NA; 18: PN: US20040014699 EWE: 20 so R NA; 19: PN: US20040006029 EWE: 23 so R NA; 19: PN: WO03106645 EWE: 71 so R NA; 59: PN: US20030166592 OJU: 15 beere RNA; 6: PN: WO2005006958 OJU: 62 beere R NA; 83: PN: US20040171566 EWE: 18 so R NA; 8: PN: WO2005007825
EWE: 62 so R NA; 90: PN: US20040005707 EWE: 20 so R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Awọn ohun-ini ti o wa |
| Gbona |
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami Iyo | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra wa
1H NMR
13C NMR
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 291 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 644 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3690 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | Ọdun 15600 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 23700 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 24800 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 23300 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 14100 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3010 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 558 | 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 | 569 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 6.093 ± 0.720 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,3 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.011 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.0 x 10-3 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,7 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.1 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 1,4 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.3 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-3 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-4 g/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1,8 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-5 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.9 x 10-6 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-6 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,9 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,8 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,9 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-6 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,9 x 10-7 mol/L | Omi ti a ko fi silẹ pH 6.97; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 721.80 | ||
| pKa | 8.60 ± 0.40 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,87 ± 0,20 | 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 | 1,26 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 572,5 ± 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 | 15 | (1) ACD | |
| Ohun ini | Iye | Ipo | Orisun |
| H Awọn olugba | 12 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 6.093 ± 0.720 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 721.80 |
(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 | 137 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
| Koodu | Gbólóhùn ewu | Orisun |
| H335 | Le fa ibinu ti atẹgun | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H319 | O fa ibinu oju pataki | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
| H315 | O fa ibinu awọ ara | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
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