Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 11th, 2008 |
26 |
No
|
Popular Name:
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5…
Find On:
PubMed —
Wikipedia —
Google
CAS Numbers:
147027-10-9
, 147126-73-6
, 73590-85-9
, [147027-10-9]
, [147126-73-6]
Other Names:
(1R,2S,5R)-Menthyl-(2R,5S)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-[1,3]oxathiolane-2-carboxylic acid
(2R,5R)-5-(4-Amino-2-Oxo-2H-Pyrimidin-1-Yl)-[1,3]Oxathiolane-2-Carboxylic Acid,2S-Isopropyl-5-R-Methyl-1R-Cyclohexyl Ester
(2R,5R)-5-(4-Amino-2-Oxo-2H-Pyrimidin-1-Yl)-[1,3]Oxathiolane-2-Carboxylic Acid,2S-Isopropyl-5-R-Methyl-1R-Cyclohexyl Ester
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
(2R-Cis)-4-AMINO-1-[2(2-; CARBOXYMENTHOLYL)-1,3-; OXATHIOLAN-5-YL]-2-(1H)-; PYRIMIDINONE
5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
MFCD09263619
MFCD09743549
MFCD09832877
N/A
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
3.06 |
6.88 |
-14.41 |
2 |
7 |
0 |
96 |
381.498 |
5 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Purity |
95% |
Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
