C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Nambari ya Usajili ya CAS
168427-74-5
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 325.32 | - |
Kiwango cha Kuchemka (Iliyotabiriwa) | 639.0±65.0 °C | Bonyeza: 760 Torr |
Msongamano (Uliotabiriwa) | 1.70±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 13.12±0.70 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kikanuni
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Isomeric TABASAMU
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Ufunguo wa InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Jina Lingine la Dawa hii
2′-O-(2-Methoxyethyl)adenosine (ACI)
Spectra inapatikana
1 H NMR
13 C NMR
Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo
Joto
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.18 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.31 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.32 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.32 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.32 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.32 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Koc | 1.0 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 1.0 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 3.39 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 19.4 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 38.0 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 42.0 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 42.5 | pH 7; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 42.5 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 42.5 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 42.5 | pH 10; Joto: 25 °C | (1) ACD |
logD | -1.94 | pH 1; Joto: 25 °C | (1) ACD |
logD | -1.48 | pH 2; Joto: 25 °C | (1) ACD |
logD | -0.64 | pH 3; Joto: 25 °C | (1) ACD |
logD | 0.12 | pH 4; Joto: 25 °C | (1) ACD |
logD | 0.41 | pH 5; Joto: 25 °C | (1) ACD |
logD | 0.46 | pH 6; Joto: 25 °C | (1) ACD |
logD | 0.46 | pH 7; Joto: 25 °C | (1) ACD |
logD | 0.46 | pH 8; Joto: 25 °C | (1) ACD |
logD | 0.46 | pH 9; Joto: 25 °C | (1) ACD |
logD | 0.46 | pH 10; Joto: 25 °C | (1) ACD |
logP | 0.462±0.647 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 4.2 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 999 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 381 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 55 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.4 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.9 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.2 g/L | Maji yasio na buffered pH 8.08; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 0.013 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 3.07 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.17 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.17 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.029 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.015 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 0.013 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.013 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.013 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.013 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.013 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.013 mol/L | Maji yasio na buffered pH 8.08; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 325.32 | ||
pKa | 13.12±0.70 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | 3.82±0.10 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
Shinikizo la Mvuke | 3.35 x 10-17 Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.70±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 191.2±7.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 8 | (1) ACD | |
H Wakubali | 10 | (1) ACD | |
H Wafadhili | 4 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 14 | (1) ACD | |
logP | 0.462±0.647 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 325.32 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Chanzo cha Hali |
Eneo la Uso wa Polar | 138 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 639.0±65.0 °C | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 99.17±3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Kiwango | 340.2±34.3 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR