Products 85026-87-5

CAS 85026-87-5 is the registry number for (-)-trans-anti-N2-BPDE-dG. Offered by: TRC. Available pack sizes: 100mg.

(-)-trans-anti-N2-BPDE-dG
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one (CAS 85026-87-5) is a chemical compound with the molecular formula C30H27N5O7 and a molecular weight of 569.6 g/mol. IUPAC name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one. InChIKey: WOKFWJGVLJVTLH-CGTNIKCPSA-N.

Identity
Molecular formulaC30H27N5O7
Molecular weight569.6 g/mol
IUPAC name9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one
InChIKeyWOKFWJGVLJVTLH-CGTNIKCPSA-N
SMILESC1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N[C@H]4[C@@H]([C@@H]([C@H](C5=C4C6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)O)O)O)CO)O

Computed by PubChem (NCBI)

Synonyms: (-)-trans-anti-N2-BPDE-dG
Related forms of this compound
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7S,8R,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one C30H27N5O7
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9R,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one C30H27N5O7
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-1H-purin-6-one C30H27N5O7