C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
Nọmba iforukọsilẹ CAS
2140-79-6
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 281.27 | - |
| Ibi Iyọ (Ayẹwo) | 204-206 °C | - |
| Oju Ise (Asọtẹlẹ) | 623,8 ± 65,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,84 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 13.13 ± 0,70 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
ISOMERIC SMILES
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChi
InChi= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10 (6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
InChi Key
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Awọn orukọ miiran fun nkan yii
2′-OMethyladenosine (ACI); Cordysinin B
Awọn ohun-ini ti o wa
Gbona
| Ohun ini | Iye | Orisun ipo |
| Ojuami Iyo | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saulu; Iwe akọọlẹ European ti Kemistri Organic, (2009) (19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra wa
1 H NMR
13 C NMR
IR
Ibi
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.78 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.97 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.99 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.99 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.99 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini Iye Ipò Orisun |
| Bioconcentration ifosiwewe 1,99 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)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4.54 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 0.697 ± 0.596 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 3.7 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 886 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 309 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 45 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.9 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.9 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.7 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.7 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 3.7 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.7 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.7 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.7 g/L | Omi ti a ko fi silẹ pH 8.07; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 0.013 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.15 milimita / L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.10 milimita / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.16 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.028 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.014 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 0.013 mol/L | Omi ti a ko fi silẹ pH 8.07; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 281.27 | ||
| pKa | 13.13 ± 0,70 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3.82± 0.10 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 2,02 x 10-16 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)
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,84 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 152,5 ± 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)
| Ohun ini | Iye | Orisun ipo |
| Larọwọto Rotatable Bonds | 5 | (1) ACD |
| H Awọn olugba | 9 | (1) ACD |
| H Awọn oluranlọwọ | 4 | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| H Oluranlọwọ / Olugba Apapọ | 13 | (1) ACD | |
| logP | 0.697 ± 0.596 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 281.27 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 129 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 623,8 ± 65,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 97,11 ± 3,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 331,0 ± 34,3 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
| Koodu | Gbólóhùn ewu | Orisun |
| H303 | Le jẹ ipalara ti o ba gbe mì | Amoye Curated |
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