C11H16N6O4 Adenosine, 2-amino-2′ -O-methyl- (9CI, ACI)
Nọmba ndekọ CAS
80791-87-3
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 296.28 | - |
Ebe mgbaze (nnwale) | 121-122 Celsius C | Ihe mgbaze: methanol |
Ebe a na-esi esi esi (buru amụma) | 733.2±70.0 Celsius | Pịa: 760 Torr |
Njupụta (buru amụma) | 1.98±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 13.12± 0.70 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
OCC1OC(N2C= NC=3C(= NC(= NC32)N)N)C(OC)C1O
Isomeric SMILES
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(N)N3)O[C@H](CO)[C@H] ]1O
InChi
InChi= 1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15 -11 (13) 16-9 (5) 17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16) /t4-,6-,7-,10-/m1/s1
Igodo InChi
JLWUWXCKSOIFPS-KQYNXXCUSA-N
2 Aha ndị ọzọ maka ihe a
2-Amino-2′-Omethyladenosine (ACI); 2 '-OMethyl-2,6-diaminopurine riboside
Ngwongwo dị
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ebe mgbaze | 121-122 Celsius C | Ihe mgbaze: methanol | (1) CAS |
(1) Kore, Anilkumar R.; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (3), 307-314, CAplus
Spectra dị
UV na anya
Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Isi mmalite Ọnọdụ Uru Ala |
1.0 pH; Okpomọkụ: 25 Celsius C (1) ACD |
1.0 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
1.0 pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 1.21 pH 4; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 6.90 pH 5; Okpomọkụ: 25 Celsius C (1) ACD |
13.5 pH 6; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 14.9 pH 7; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 15.1 pH 8; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 15.1 pH 9; Okpomọkụ: 25 Celsius C (1) ACD |
Koc 15.1 pH 10; Okpomọkụ: 25 Celsius C (1) ACD |
logD -2.85 pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
logD -2.76 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
logD -2.31 pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
logD -1.46 pH 4; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.70 pH 5; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.41 pH 6; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.37 pH 7; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.36 pH 8; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.36 pH 9; Okpomọkụ: 25 Celsius C (1) ACD |
logD -0.36 pH 10; Okpomọkụ: 25 Celsius C (1) ACD |
logP -0.363±0.611 Okpomọkụ: 25 °C (1) ACD |
Solubility Mass Intrinsic 1.6 g/L Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 504 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 409 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 140 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 20 g / L pH 4; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 3.6 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 1.8 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 1.7 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 1.6 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 1.6 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD |
Uka Solubility 1.6 g / L pH 10; Okpomọkụ: 25 Celsius C (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Njupụta | 1.98±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 149.3 ± 7.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 5 | (1) ACD | |
H Ndị nnabata | 10 | (1) ACD | |
H Ndị na-enye onyinye | 6 | (1) ACD | |
H Donor/Anabata Nchikota | 16 | (1) ACD | |
logP | -0.363±0.611 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 296.28 |