2'-Deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine
Basic information
- CAS
72777-36-7- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4c5c(cc6ccc7cccc8ccc5c6c78)[C@@H](O)[C@H](O)[C@@H]4O)ncnc32)C[C@@H]1O- InChIKey
CTZMKJGEZSMRHR-PZCPIJLBSA-N- Molecular formula
- C30H27N5O6
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.1961336
Names & identifiers
- Preferred name
- 2'-Deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine
- IUPAC
- (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Names & synonyms
72777-36-7DTXSID909935782'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine2'-Deoxy-N-[(7R,8S,9R,S)-7,8,9,-tetrahydro-7,8,9-trihydroxybenzo[a]pyren--yl]adenosine9-(2-Deoxypentofuranosyl)-N-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl)-9H-purin-6-amineAdenosine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7R-(7alpha,8beta,9beta,10alpha))-
Database identifiers
- CAS
72777-36-7- PubChem CID
- 188124
- DTXSID
DTXSID90993578- Nikkaji
- J683.579A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 964
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…