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(Αr)-6-Amino-Α-Methyl-9H-Purine-9-Ethanol
CAS: 14047-28-0 | C8H11N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14047-28-0
Molecular Formula:
C8H11N5O
Molecular Mass:
193.21 g/mol
Names and Synonyms:
(Αr)-6-Amino-Α-Methyl-9H-Purine-9-Ethanol
9H-Purine-9-ethanol, 6-amino-α-methyl-, (αR)-
9H-Purine-9-ethanol, 6-amino-α-methyl-, D-
9H-Purine-9-ethanol, 6-amino-α-methyl-, (R)-
(αR)-6-Amino-α-methyl-9H-purine-9-ethanol
D-(-)-9-(2-Hydroxypropyl)adenine
9-[(2R)-2-Hydroxypropyl]adenine
(R)-9-(2-Hydroxypropyl)adenine
9-[2-(R)-(Hydroxy)propyl]adenine
(R)-(+)-9-(2-Hydroxypropyl)adenine
(2R)-1-(6-Aminopurin-9-yl)propan-2-ol
(R)-(+)-9-(2-Hydroxypropyl)adenine
Identifiers:
SMILES:
C[C@@H](O)Cn1cnc2c(N)ncnc21
InChI:
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
Key Properties
Melting Point
193 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.21 g/mol | CAS Common Chemistry |
| 193.20999999999998 g/mol | RDKit | |
| 193.096359972 g/mol | RDKit | |
| Canonical SMILES | OC(C)CN1C=NC=2C(=NC=NC21)N | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MJZYTEBKXLVLMY-RXMQYKEDSA-N | CAS Common Chemistry |
| Melting Point | 193 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | (αR)-6-Amino-α-methyl-9H-purine-9-ethanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 89.85 Ų | RDKit |
| LogP | -0.2107000000000005 | RDKit |
| Molar Refractivity | 51.41620000000001 | RDKit |
