Back to Search
Isosorbide Mononitrate
CAS: 16051-77-7 | C6H9NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16051-77-7
Molecular Formula:
C6H9NO6
Molecular Weight:
191.13899999999998 g/mol
Names and Synonyms:
Isosorbide Mononitrate
D-Glucitol, 1,4:3,6-dianhydro-, 5-nitrate
Glucitol, 1,4:3,6-dianhydro-, 5-nitrate, D-
Furo[3,2-b]furan, D-glucitol deriv.
Isosorbide 5-mononitrate
1,4:3,6-Dianhydro-D-glucitol 5-nitrate
Isosorbide 5-nitrate
Isosorbide mononitrate
IS 5MN
AHR 4698
BM 22-145
Monizid
Imdur
Multitab
Ismo
Monoket
Monolong
Mono-Mack
Imodur
Monoket OD
Mononit Retard 50
Mononit 40
Ismox
Monolong 60
Medocor
Nitramin
Corangin SR
Conpin
Monotrate
Ismo 20
Isomonat
Monopront
Monicor
Corangin
Isomonit
Mono-Sanorania
Elantan
Imdur 60
Ismexin
ISMN
Isopen 20
Monodur Durules
Monocord 20
Imdur Durules
Isomon
Mononit 20
Imtrate
Mono Corax
Monoket Retard
Mono Corax Retard
Monosorbitrate
Monit 20
Pentacard
Elantan Long
Pentacard 20
Monis
Iturol
Conpin Retardkaps
Vasotrate
Monovas
Monoclair
Mononit
Duride
Monocord 40
Monolong 40
Monosordil
Elan
Monocord 50SR
Elantan Retard
Dilavenil
Mono-Cedocard
Monosorb
Momo Mack
Olicard
Monit
Geomatrix
Ormox
Monizol
Identifiers:
SMILES:
O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChI:
InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 191.13899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 191.042987008 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 91.06000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2782000000000004 | RDKit |
| molecular_mass | 191.14 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)OC1COC2C(O)COC12 None | Legacy Database |
| cas-inchi | InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=YWXYYJSYQOXTPL-SLPGGIOYSA-N None | Legacy Database |
| cas-melting-point | 88-91 °C None | Legacy Database |
| cas-name | Isosorbide mononitrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.354200000000006 | RDKit |
