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61490-67-3,MFCD01662929
Catalog No.:AA00EFBH

61490-67-3 | Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-,(7R,8S,9S,10R)-rel-

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00EFBH
Chemical Name:
Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-,(7R,8S,9S,10R)-rel-
CAS Number:
61490-67-3
Molecular Formula:
C20H16O4
Molecular Weight:
320.3386
MDL Number:
MFCD01662929
SMILES:
O[C@@H]1[C@@H](O)[C@H](O)c2c([C@H]1O)c1ccc3c4c1c(c2)ccc4ccc3
Properties
Computed Properties
 
Complexity:
496  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
XLogP3:
1.9  

Literature

Title: Oxidation of guanine in G, GG, and GGG sequence contexts by aromatic pyrenyl radical cations and carbonate radical anions: relationship between kinetics and distribution of alkali-labile lesions.

Journal: The journal of physical chemistry. B 20080214

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Tags:61490-67-3 Molecular Formula|61490-67-3 MDL|61490-67-3 SMILES|61490-67-3 Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-,(7R,8S,9S,10R)-rel-