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rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol

rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol structure

CAS No:
63038-83-5
Formula:
C18H14O3
Chemical Name:
rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol
Synonyms:
Benz[7,8]anthra[1,2-b]oxirene-2,3-diol,1a,2,3,11b-tetrahydro-,(1aR,2R,3S,11bS)-rel-;Benz[7,8]anthra[1,2-b]oxirene-2,3-diol,1a,2,3,11b-tetrahydro-,(1aα,2β,3α,11bα)-;rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol;8α,9β-Dihydroxy-10β,11β-epoxy-8,9,10,11-tetrahydrobenz[a]anthracene;anti-(±)-Benz[a]anthracene-trans-8,9-dihydrodiol-10,11-epoxide;64598-83-0

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rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol Basic Attributes

Molecular Weight：

274.2702

Exact Mass：

278.30

Characteristics

PSA：

XLogP3：

2.3

Melting Point：

210-215 °C (decomp)

Drug Information

MeSH Entry Terms：

8,9,10,11-tetrahydrobenzanthracene-8,9-diol-10,11-epoxide

Computed Properties

Molecular Weight:278.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:278.094294304
Monoisotopic Mass:278.094294304
Topological Polar Surface Area:53
Heavy Atom Count:21
Complexity:425
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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