 Home > Encyclopedia > (3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol

(3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol

(3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol structure

CAS No:
149559-16-0
Formula:
C20H13NO5
Chemical Name:
(3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol
Synonyms:
3-nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide;3-nitrobenzo(a)pyrene-trans-7,8-diol-anti-9,10-epoxide;NBPDE;149559-16-0;trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-3-nitrobenzo(a)pyrene;CCRIS 8055;TRANS-7,8-DIHYDROXY-ANTI-9,10-EPOXY-7,8,9,10-TETRAHYDRO-3-NITROBENZO[A]PYRENE;3-Nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide;DTXSID50933672;trans-7,8-Dihydroxy-9.10-epoxy-7,8,9,10-tetrahydro-3-nitrobenzo(a)pyren E;(7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-3-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol;7,8,8a,9a-Tetrahydro-3-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol (7alpha,8beta,8aalpha,9aalpha)-;Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-3-nitro-, (7-alpha,8-beta,8a-alpha,9a-alpha)-;3-nitrobenzo(a)pyrene-trans-7,8-diol-anti-9,10-epoxide;3-Nitro-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol;3-Nitro-9alpha,10alpha-epoxy-(7,8,9,10-tetrahydrobenzo[a]pyrene)-7beta,8alpha-diol

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(3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol Basic Attributes

Molecular Weight：

347.3 g/mol

Exact Mass：

347.07937252 g/mol

Characteristics

PSA：

98.8 Å²

Drug Information

MeSH Entry Terms：

3-nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide

Computed Properties

Molecular Weight:347.3
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:347.07937252
Monoisotopic Mass:347.07937252
Topological Polar Surface Area:98.8
Heavy Atom Count:26
Complexity:622
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: bromocyclohexane; tert butyl alcohol; bacteria enterobacter cloacae; sulfite formula; hiende; caprylic acid benefits

Guide of (3R,5S,6S,7R)-14-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13,15,17(21),18-octaene-6,7-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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