 Home > Encyclopedia > (3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol

(3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol

(3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol structure

CAS No:
58116-22-6
Formula:
C20H14O3
Chemical Name:
(3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol
Synonyms:
(+/-)-Benzo(a)pyrene-9,10-diol-7,8-epoxide,syn;58116-22-6;Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn-;Benzo(10,11)chryseno(1,2-b)oxirene-8,9-diol, 6b,7a,8,9-tetrahydro-, (6b-alpha,7a-alpha,8-alpha,9-beta)-(+-)-;DTXSID30973697;6b,7a,8,9-Tetrahydrobenzo[1,12]tetrapheno[8,9-b]oxirene-8,9-diol

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(3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol Basic Attributes

Molecular Weight：

302.3 g/mol

Exact Mass：

302.094294304 g/mol

Characteristics

PSA：

53 Å²

Computed Properties

Molecular Weight:302.3
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:302.094294304
Monoisotopic Mass:302.094294304
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:507
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,4R,5S,7R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol

Basic Attributes
Characteristics
Computed Properties

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