(2S,3R,4S,5R)-5-[6-(N-benzoylbenzamido)purin-9-yl]-4-(benzoyloxy)-2-(hydroxymethyl)oxolan-3-yl benzoate
AlkaPlorer ID: AK060920
Synonym: None
IUPAC Name: [(2S,3R,4S,5R)-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] benzoate
Structure
SMILES: O=C(O[C@H]1[C@H](OC(=O)C2=CC=CC=C2)[C@H](N2C=NC3=C2N=CN=C3N(C(=O)C2=CC=CC=C2)C(=O)C2=CC=CC=C2)O[C@H]1CO)C1=CC=CC=C1
InChI: InChI=1S/C38H29N5O8/c44-21-28-30(50-37(47)26-17-9-3-10-18-26)31(51-38(48)27-19-11-4-12-20-27)36(49-28)42-23-41-29-32(42)39-22-40-33(29)43(34(45)24-13-5-1-6-14-24)35(46)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,36,44H,21H2/t28-,30+,31-,36+/m0/s1
InChIKey: GNYQOUZNLMTKQG-WTNSZDBTSA-N
Reference
Interesting aspects of marine natural products chemistry
PubChem CID: 96544146
SuperNatural Ⅲ: SN0110775-05
Source
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Properties Information
Molecule Weight: 683.6770000000004
TPSA？: 163.03999999999996
MolLogP？: 4.654400000000005
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 7
Activities Information
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