C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 371.35 | - |
| Ibi Iyọ (Ayẹwo) | 152 °C | - |
| iwuwo (Asọtẹlẹ) | 1,70 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
SILES SILE O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric SMILES O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H](CO)[C@H]1O
InChi
InChi=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-1 4 (18-7-19-15 (11)22)21-16 (26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChi Key
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Awọn orukọ miiran fun nkan yii
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Awọn ohun-ini ti o wa |
| Gbona |
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami Iyo | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Awọn ilọsiwaju - Ile-ẹkọ giga ti India ti Awọn sáyẹnsì, Awọn sáyẹnsì Kemikali, (1989), 101 (5), 401-13, CAplus
Spectra wa
1H NMR
13C NMR
Hetero NMR
IR
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.83 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.56 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.67 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.68 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.65 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2.37 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.16 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | 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 | 12.6 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.12 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.70 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.85 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.86 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.87 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.86 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.81 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.50 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.24 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.89 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 0,868 ± 0.577 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 0.037 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.22 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.056 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.041 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.041 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.037 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.041 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.045 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.089 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.48 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 0.041 g/L | Omi ti ko ni ipamọ pH 5.93; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1.0 x 10-4 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-4 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-4 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-4 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-4 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.4 x 10-4 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.0 x 10-3 mol / L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | Omi ti ko ni ipamọ pH 5.93; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 371.35 | ||
| pKa | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 1.39 ± 0.10 | 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 | 1,70 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 217,3 ± 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 | 6 | (1) ACD | |
| H Awọn olugba | 10 | (1) ACD | |
| H Awọn oluranlọwọ | 4 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 0,868 ± 0.577 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 371.35 |
(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 | 143 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 |
| H333 | Le jẹ ipalara ti a ba fa simi naa | Amoye Curated |
| H303 | Le jẹ ipalara ti o ba gbe mì | Amoye Curated |
| H302 | Ipalara ti o ba gbemi | Ile-ibẹwẹ Kemikali ti Yuroopu (ECHA) Isọdi&Okoja isamisi - Ifitonileti isọdi ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali ti Yuroopu |
Akojọ ilana: REACH, TCSI
Asiri Business Alaye: Public
| Awọn Synonyms ilana | ||
| Adenosine, N-benzoyl- | DE, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | DEDE | - |
| N6-Benzoyladenosine | DEDE | - |
Awọn alaye nipasẹ Orilẹ-ede/Ti kariaye & Awọn atokọ Orilẹ-ede miiran / Alaye Agbegbe Wa
European Union Lakotan
Ipo Iṣura lori Atokọ REACH ti Awọn nkan ti o forukọsilẹ
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Ilana Akojọ Nọmba EC No.: 610-251-3
Akopọ Taiwan
Ipo Iṣura lori TCSI Taiwan Ga
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