C11H15N5O5 Guanosin, 2′-O-métil- (7CI, 8CI, 9CI, ACI)

produk

C11H15N5O5 Guanosin, 2′-O-métil- (7CI, 8CI, 9CI, ACI)

Inpormasi Dasar:


Rincian produk

Tag produk

Rincian Zat

Nomer pendaptaran CAS

2140-71-8

Sipat fisik konci Nilai kaayaan
Beurat Molekul 297.27 -
Titik Lebur (Percobaan) 233-235 °C Pangleyur: Métanol
Kapadetan (diprediksi) 1,98±0,1 g/cm3 Suhu: 20 °C; Pencét: 760 Torr
pKa (diprediksi) 9,64±0,20 Suhu Paling Asam: 25 °C

Ngaran séjén sarta Identifiers

SMILES Canonical

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC

Isomerik SMILES

O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](CO)[C@H ]1O

InChI

InChI= 1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14 -11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1

InChI Key

OVYNGSFVYRPRCG-KQYNXXCUSA-N

1 Ngaran séjén pikeun Zat ieu

2'-O-Metilguanosin (ACI)

Pasipatan sadia
Kimia
Termal

Kimia

Harta Kaayaan Nilai Sumber
pKa 9.5 (1) CAS

(1) Bhamra, Inder; Panalungtikan Asam Nukléat,

Termal

Harta Nilai kaayaan Sumber
Titik lebur 233-235 °C Pangleyur: Métanol (1) CAS

(1) Koré, Anilkumar R.; Nukléosida, Nukléotida & Asam Nukléat,

Spéktra ékspérimén

Spéktra sadia
1 H NMR
13 C NMR
Massa

Pasipatan diprediksi

Pasipatan sadia
Biologis
Kimia
Kapadetan
Lipinski
Struktur Patali

Biologis

Harta Nilai kaayaan Sumber
Faktor Biokonsentrasi 1.0 pH 1; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 2; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 3; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 4; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 5; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 6; Suhu: 25 °C (1) ACD

 

Harta Nilai kaayaan Sumber
Faktor Biokonsentrasi 1.0 pH 7; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 8; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 9; Suhu: 25 °C (1) ACD
Faktor Biokonsentrasi 1.0 pH 10; Suhu: 25 °C (1) ACD

(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kimia

Harta Nilai kaayaan Sumber
Koc 1.0 pH 1; Suhu: 25 °C (1) ACD
Koc 1.19 pH 2; Suhu: 25 °C (1) ACD
Koc 3.42 pH 3; Suhu: 25 °C (1) ACD
Koc 4.23 pH 4; Suhu: 25 °C (1) ACD
Koc 4.33 pH 5; Suhu: 25 °C (1) ACD
Koc 4.34 pH 6; Suhu: 25 °C (1) ACD
Koc 4.33 pH 7; Suhu: 25 °C (1) ACD
Koc 4.24 pH 8; Suhu: 25 °C (1) ACD
Koc 3.48 pH 9; Suhu: 25 °C (1) ACD
Koc 1.28 pH 10; Suhu: 25 °C (1) ACD
logD -2.76 pH 1; Suhu: 25 °C (1) ACD
logD -1.92 pH 2; Suhu: 25 °C (1) ACD
logD -1.46 pH 3; Suhu: 25 °C (1) ACD
logD -1.37 pH 4; Suhu: 25 °C (1) ACD
logD -1.36 pH 5; Suhu: 25 °C (1) ACD
logD -1.36 pH 6; Suhu: 25 °C (1) ACD
logD -1.36 pH 7; Suhu: 25 °C (1) ACD
logD -1.37 pH 8; Suhu: 25 °C (1) ACD
logD -1.45 pH 9; Suhu: 25 °C (1) ACD
logD -1.89 pH 10; Suhu: 25 °C (1) ACD
logP -1.359±0.544 Suhu: 25 °C (1) ACD
Kalarutan Intrinsik Massa 1,1 g/L Suhu: 25 °C (1) ACD
Massa kaleyuran 27 g/L pH 1; Suhu: 25 °C (1) ACD
Massa kaleyuran 3,9 g/L pH 2; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,4 g/L pH 3; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,1 g/L pH 4; Suhu: 25 °C (1) ACD

 

Harta Nilai kaayaan Sumber
Massa kaleyuran 1,1 g/L pH 5; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,1 g/L pH 6; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,1 g/L pH 7; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,1 g/L pH 8; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,3 g/L pH 9; Suhu: 25 °C (1) ACD
Massa kaleyuran 3,6 g/L pH 10; Suhu: 25 °C (1) ACD
Massa kaleyuran 1,1 g/L Cai Unbuffered pH 6,17; Suhu: 25 °C (1) ACD
Kalarutan Intrinsik Molar 3,6 x 10-3 mol/L Suhu: 25 °C (1) ACD
Kalarutan molar 0,091 mol / L pH 1; Suhu: 25 °C (1) ACD
Kalarutan molar 0,013 mol / L pH 2; Suhu: 25 °C (1) ACD
Kalarutan molar 4,6 x 10-3 mol / L pH 3; Suhu: 25 °C (1) ACD
Kalarutan molar 3,7 x 10-3 mol/L pH 4; Suhu: 25 °C (1) ACD
Kalarutan molar 3,7 x 10-3 mol/L pH 5; Suhu: 25 °C (1) ACD
Kalarutan molar 3,6 x 10-3 mol/L pH 6; Suhu: 25 °C (1) ACD
Kalarutan molar 3,7 x 10-3 mol/L pH 7; Suhu: 25 °C (1) ACD
Kalarutan molar 3,7 x 10-3 mol/L pH 8; Suhu: 25 °C (1) ACD
Kalarutan molar 4,5 x 10-3 mol / L pH 9; Suhu: 25 °C (1) ACD
Kalarutan molar 0,012 mol / L pH 10; Suhu: 25 °C (1) ACD
Kalarutan molar 3,6 x 10-3 mol/L Cai Unbuffered pH 6,17; Suhu: 25 °C (1) ACD
Beurat Molekul 297.27    
pKa 9,64±0,20 Suhu Paling Asam: 25 °C (1) ACD
pKa 2.42±0.10 Suhu Dasar: 25 °C (1) ACD

(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kapadetan

Harta Nilai kaayaan Sumber
Kapadetan 1,98±0,1 g/cm3 Suhu: 20 °C; Pencét: 760 Torr (1) ACD
Volume Molar 149,8±7,0 cm3/mol Suhu: 20 °C; Pencét: 760 Torr (1) ACD

(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Harta Nilai Sumber Kaayaan
Bébas Rotatable Beungkeut 5 (1) ACD

 

Harta Nilai kaayaan Sumber
H Akséptor 10   (1) ACD
H Donor 5   (1) ACD
H Donor / Akséptor Jumlah 15   (1) ACD
logP -1.359±0.544 Suhu: 25 °C (1) ACD
Beurat Molekul 297.27    

(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Struktur Patali

Harta Nilai Sumber Kaayaan
Wewengkon Permukaan Polar 144 A2 (1) ACD

(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Diprediksi Spectra

Spéktra sadia
1 H NMR
13 C NMR


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