C11H15N5O4 Adenosine, 2′ -O-meitil- (7CI, 8CI, 9CI, ACI)
Uimhir Chláraithe CAS
2140-79-6
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 281.27 | - |
| Leáphointe (Turgnamhach) | 204-206 °C | - |
| Fiuchphointe (Tuartha) | 623.8±65.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.84±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 13.13±0.70 | Teocht is Airde: 25 °C |
SMILES Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
SMILES Isiméireacha
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
Eochair InChI
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Ainmneacha Eile don tSubstaint seo
2′ -O-Methyladenosine (ACI); Cordaisín B
Airíonna ar fáil
Teirmeach
| Maoin | Luach | Foinse Coinníoll |
| Leáphointe | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; Iris Eorpach na Ceimice Orgánach, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Spectra ar fáil
1 H NMR
13 C NMR
IR
Aifreann
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.78 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 97 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 99 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 99 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 99 | pH 9; Teocht: 25 °C | (1) ACD |
| Foinse Coinníoll Luach Maoine |
| Fachtóir Bithtiúchan 1.99 pH 10; Teocht: 25 °C (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 4.54 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 26.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 51.0 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 56.4 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 57.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 57.1 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 57.1 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 57.0 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 0. 36 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 0. 69 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 0. 70 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 0. 70 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 0. 70 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 0. 70 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 0.697±0.596 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 3.7 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 886 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 309 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 45 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.9 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.9 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 3.7 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.7 g/L | Uisce Neamh-mhaolaithe pH 8.07; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 0.013 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.15 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.10 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.16 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.028 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.014 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | Uisce Neamh-mhaolaithe pH 8.07; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 281.27 | ||
| pKa | 13.13±0.70 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 2.02 x 10-16 Torr | Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.84±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 152.5±7.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Bannaí Rothlach Saor in Aisce | 5 | (1) ACD |
| H Glacadóirí | 9 | (1) ACD |
| H Deontóirí | 4 | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| H Suim Deontóra/Ghlacadóir | 13 | (1) ACD | |
| logP | 0.697±0.596 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 281.27 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 129 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 623.8±65.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 97.11±3.0 kJ/mól | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 331.0±34.3 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
| Cód | Ráiteas Guaise | Foinse |
| H303 | D'fhéadfadh sé a bheith díobhálach má shlogtar é | Saineolaí Coimeádta |
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