 Home > Encyclopedia > (6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

(6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

(6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol structure

CAS No:
88598-54-3
Formula:
C20H13NO5
Chemical Name:
(6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
Synonyms:
1-nitro-BaP trans-7,8-anti-9,10-epoxide;1-nitro-BaP-DE;1-nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide;1-nitrobenzo(a)pyrene-trans-7,8-diol-anti-9,10-epoxide;trans-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene;trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene;88598-54-3;CCRIS 8054;TRANS-7,8-DIHYDROXY-ANTI-9,10-EPOXY-7,8,9,10-TETRAHYDRO-1-NITROBENZO[A]PYRENE;1-Nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide;DTXSID20934297;(7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-1-nitrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol;Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-1-nitro-, (7-alpha,8-beta,8a-alpha,9a-alpha)-;1-nitro-BaP trans-7,8-anti-9,10-epoxide;1-nitrobenzo(a)pyrene-trans-7,8-diol-anti-9,10-epoxide;Trans-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydro-1-nitrobenzo(a)pyrene;1-Nitro-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol;151592-32-4

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(6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-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：

1-nitro-BaP trans-7,8-anti-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:2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6S,7R)-16-nitro-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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