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rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol structure

CAS No:
63438-26-6
Formula:
C18H14O3
Chemical Name:
rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
Synonyms:
Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol,1a,2,3,11c-tetrahydro-,(1aR,2R,3S,11cS)-rel-;Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol,1a,2,3,11c-tetrahydro-,(1aα,2β,3α,11cα)-;rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol;(±)-trans-3α,4β-Dihydroxy-1α,2α-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene;(±)-anti-Benz[a]anthracene-3,4-diol 1,2-epoxide;anti-(±)-Benz[a]anthracene-trans-3,4-dihydrodiol-1,2-epoxide;64598-80-7

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rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol Basic Attributes

Molecular Weight：

278.3 g/mol

Exact Mass：

278.30

Characteristics

PSA：

53 Å²

Melting Point：

180-182 °C (decomp)

Computed Properties

Molecular Weight:278.3
XLogP3:2
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,11cS)-1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol

Basic Attributes
Characteristics
Computed Properties

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