Cas no 13117-60-7 (Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate))

Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) structure
13117-60-7 structure
Product Name:Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
CAS No:13117-60-7
MF:C14H18N5O7P
MW:399.295783519745
CID:119306
PubChem ID:115029
Update Time:2025-04-18

Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
    • monobutyryl cyclic AMP
    • Cyclic N6-monobutyryladenosine-3',5'-monophosphate
    • Cyclic N6-monobutyryl-AMP
    • Monobutyryl adnosine cyclic 3',5'-monophosphate
    • N(6)-Butyryl adenosine-3',5'-cyclic monophosphate
    • N(6)-Butyryl cyclic AMP
    • N(6)-Monobutyryl adenosine-3',5'-cyclic monophosphate
    • N(6)-Monobutyryl cyclic AMP
    • N6-Butyryl-3',5'-cyclic AMP
    • N6-Butyryladenosine 3',5'-cyclic phosphate
    • N6-Butyryl-cAMP
    • N6-Monobutyrylade
    • N6-Monobutyryl-cAMP
    • BUTYRAMIDE, N-(9-beta-D-RIBOFURANOSYL-9H-PURIN-6-YL)-, cyclic HYDROGEN PHOSPHATE
    • N(6)-butanoyl-cAMP
    • DTXSID60927103
    • Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
    • N(6)-butyryl-cAMP
    • NS00123894
    • Q27157909
    • N-[9-(2,7-Dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-6-yl]butanimidic acid
    • 6-MB-cAMP
    • EINECS 251-382-2
    • N6-Monobutyryladenosine-3',5'-cyclic monophosphate
    • CHEBI:84605
    • Butyramide, N-(9-beta-D-ribofuranosyl-9H-purin-6-yl)-, cyclic hydrogen phosphate, sodium salt
    • N6-Monobutyryladenosine-3',5'-cyclic monophosphoric acid
    • N-{9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-6-yl}butanamide
    • Cyclic N6-monobutyryl AMP, sodium salt
    • Sodium N6-monobutyryl cyclic AMP
    • SCHEMBL9635980
    • 33116-16-4
    • N-(9-((4AR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-6-yl)butyramide
    • Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate), sodium salt
    • N-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide
    • 13117-60-7
    • Inchi： 1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1
    • InChI Key： NVGDLMUKSMHEQT-FRJWGUMJSA-N
    • SMILES： P1(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(NC(CCC)=O)=NC=NC3=4)O2)O)O1

Computed Properties

  • Exact Mass: 399.09454
  • Monoisotopic Mass: 399.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 627
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.9
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • Density: 1.98
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.813
  • PSA: 157.92
  • LogP: 0.41200

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(CAS:13117-60-7)Adenosine Impurity 56
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Quantity:10g
Purity:97%
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(CAS:13117-60-7)Adenosine Impurity 56
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Purity:97%
Quantity:10g
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