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Dibutyryl Camp
CAS: 362-74-3 | C18H24N5O8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
362-74-3
Molecular Formula:
C18H24N5O8P
Molecular Weight:
469.3910000000002 g/mol
Names and Synonyms:
Dibutyryl Camp
Dibutyryl cyclic adenosine monophosphate
N6,2′-O-Dibutyryl cyclic 3′,5′-adenosine monophosphate
N6,2′-O-Dibutyryladenosine cyclic 3′,5′-monophosphate
Cyclic AMP N6,2′-O-dibutyrate
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, adenosine deriv.
Butyramide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-, 2′-butyrate, cyclic 3′,5′-phosphate
Butyramide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butyrate
Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butanoate
NSC 143108
dbcAMP
DT 5621
Actosin
Dibutyryladenosine 3′,5′-cyclophosphate
Bucladesine
N6,O2′-Dibutyryl-cAMP
N6,2′-O-Dibutyryl cAMP
3′,5′-Cyclic AMP dibutyrate
N6,O2′-Dibutyryl adenosine 3′,5′-cyclic monophosphate
Cyclic AMP dibutyrate
N6,O2′-Dibutyryl cyclic adenosine 3′,5′-monophosphoric acid
Dibutyryl cAMP
N6,O2′-Dibutyryladenosine cyclic 3′,5′-phosphate
N6,O2′-Dibutyryl-3′,5′-cyclic AMP
N6,O2′-Dibutyryladenosine 3′,5′-monophosphate
N6,O2′-Dibutyryl cyclic adenosine monophosphate
Cyclic dibutyryl-AMP
N6,2′-O-Dibutyryladenosine cyclic 3′,5′-phosphate
N6,2′-O-Dibutyryl cyclic 3′,5′-AMP
N6,O2′-Dibutyryl cyclic adenosine 3′,5′-monophosphate
N6-2′-O-Dibutyryl-3′,5′-AMP
N6,2′-O-Dibutyryl cyclic AMP
Dibutyryl-3′,5′-AMP
Dibutyryladenosine 3′,5′-cyclic monophosphate
Dibutyryladenosine cyclic monophosphate
Dibutyryladenosine 3′,5′-cyclic phosphate
Dibutyryladenosine cyclic 3′,5′-monophosphate
N6,O2′-Dibutyryl 3′,5′-AMP
N6,O2′-Dibutyryl cyclic 3′,5′-AMP
N6,O2′-Dibutyryl adenosine-3′,5′-phosphate
N6,O2′-Dibutyryl cyclic AMP
Dibutyryl cyclic adenosine 3′,5′-monophosphate
Dibutyryladenosine 3′,5′-monophosphate
N6,2′-O-Dibutyryladenosine 3′,5′-monophosphate
N6,2′-O-Dibutyryl 3′,5′-cyclic adenosine monophosphate
Dibutyryl-3′,5′-adenosine monophosphate
Dibutyryl cyclic 3′,5′-adenylic acid
N6,O2′-Dibutyrylcyclic adenosine 3′,5′-phosphate
Dibutyryl cyclic AMP
Dibutyryl 3′,5′-cyclic AMP
N6,2′-Dibutyryladenosine cyclic 3′,5′-(hydrogen phosphate)
Dibutyryl 3′,5′-cyclic adenosine monophosphate
Dibutyryl cyclic 3′,5′-AMP
Identifiers:
SMILES:
CCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c(N=C(O)CCC)ncnc21
InChI:
InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/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 | 469.3910000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 469.1362493580001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 11 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 469.39 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC1C(OC2COP(=O)(O)OC21)N3C=NC=4C(=NC=NC43)NC(=O)CCC)CCC None | Legacy Database |
| cas-inchi | InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CJGYSWNGNKCJSB-YVLZZHOMSA-N None | Legacy Database |
| cas-name | Dibutyryl cAMP None | Legacy Database |
| LogP | 2.3395 | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 167.47999999999996 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 109.30310000000004 | RDKit |
