Cas no 78493-10-4 (Adenosine,2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI))

Adenosine,2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI) structure
78493-10-4 structure
Product Name:Adenosine,2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI)
CAS No:78493-10-4
MF:C30H27N5O3
MW:505.567086458206
CID:563746
PubChem ID:174143
Update Time:2025-04-19

Adenosine,2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,2'-deoxy-N-[(12-methylbenz[a]anthracen-7-yl)methyl]- (9CI)
    • N(6)-(12-methylbenzanthracenyl-7-methyl)deoxyadenosine
    • 78493-10-4
    • (2R,3S,5R)-2-(hydroxymethyl)-5-[6-[(12-methylbenzo[a]anthracen-7-yl)methylamino]purin-9-yl]oxolan-3-ol
    • 9-(2-Deoxypentofuranosyl)-N-[(12-methyltetraphen-7-yl)methyl]-9H-purin-6-amine
    • Mbamda
    • N(6)-(12-Methylbenz(a)anthracenyl-7-methyl)deoxyadenosine
    • DTXSID90999797
    • Adenosine, 2'-deoxy-N-((12-methylbenz(a)anthracen-7-yl)methyl)-
    • Inchi: 1S/C30H27N5O3/c1-17-19-7-4-5-9-21(19)23(22-11-10-18-6-2-3-8-20(18)27(17)22)13-31-29-28-30(33-15-32-29)35(16-34-28)26-12-24(37)25(14-36)38-26/h2-11,15-16,24-26,36-37H,12-14H2,1H3,(H,31,32,33)/t24-,25+,26+/m0/s1
    • InChI Key: QTJKRASRUTVRSR-JIMJEQGWSA-N
    • SMILES: O1[C@H](CO)[C@H](C[C@@H]1N1C=NC2C(=NC=NC1=2)NCC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC=12)O

Computed Properties

  • Exact Mass: 505.21138974g/mol
  • Monoisotopic Mass: 505.21138974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 819
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 105?2
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