C13H19N5O6 Guanosine, 2′-O-(2-metoksyethyl)- (9CI, ACI)
CAS-registraasjenûmer
473278-54-5
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 341.32 | - |
| Siedpunt (foarsein) | 715,0 ± 70,0 °C | Druk: 760 Torr |
| Dichtheid (foarsein) | 1,81 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 13.20±0.70 | Soerste temperatuer: 25 °C |
Kanonike SMILES
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomere SMILES
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C(N)N3
YnChI
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7- 10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9-,12-/m1/s1
InChI-kaai
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Oare namme foar dizze stof
2′ -O-(2-Methoxyethyl)guanosine (ACI)
Beskikbere eigenskippen
Optyske en fersprieding
Termysk
| Besit | Wearde | Betingst | Boarne |
| Optyske rotaasjekrêft | -51 deg-mL/g-dm | c: 1,4 g/100ml; Oplosmiddel: Dichloormethaan; λ: 589,3 nm; Temp: 25 °C | (1) CAS |
| Optyske rotaasjekrêft | Sjoch folsleine tekst | (2) CAS |
(1) Wen, Ke; Tydskrift foar Organyske Skiekunde, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke; Tydskrift foar Organyske Skiekunde, (2002), 67(22), 7887-7889, CAplus
| Besit | Wearde | Boarne fan 'e tastân |
| Smeltpunt | Sjoch folsleine tekst | (1) CAS |
(1) Taj, Shabbir Ali S.; Nukleosiden, Nukleotiden & Nukleïnezuren, (2008), 27(9), 1024-1033, CAplus
Spektra beskikber
1H NMR
13C NMR
IR
Beskikbere eigenskippen
Biologysk
Gemysk
Dichtheid
Lipinski
Struktuer relatearre
Termysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 4.27 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 8.49 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.43 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.54 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.55 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.55 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.55 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 9.54 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | -2.65 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -1.84 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -1.08 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -0.78 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -0.74 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -0.73 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -0.73 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.73 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.73 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -0.73 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | -0.730±0.568 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 0,44 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 38 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,5 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 0,96 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,48 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,44 g/L | Unbufferd wetter pH 7.20; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,3 x 10-3 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,11 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,016 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,8 x 10-3 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-3 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-3 mol/L | Unbufferd wetter pH 7.20; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 341.32 | ||
| pKa | 13.20±0.70 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Meast basistemperatuer: 25 °C | (1) ACD |
| Dampdruk | 1,86 x 10-21 Torr | Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,81 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 188,5 ± 7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 8 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 5 | (1) ACD | |
| H Donor/Akseptor Som | 16 | (1) ACD | |
| logP | -0.730±0.568 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 341.32 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 153 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 715,0 ± 70,0 °C | Druk: 760 Torr | (1) ACD |
| Enthalpy fan ferdamping | 109,72 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 386,2±35,7 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
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