Ccris 5421
5-oxa-10-azapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: Deoxypentalenylglucuron|C17N13NO3|1a,2,3,11b-tetrahydrobenzo[h]oxireno[a]acridine-2,3-diol|(+-)-10alpha,11beta-Dihydroxy-8alpha,9alpha-epoxy-8,9,10,11-tetrahydrobenz(c)acridine|(1aalpha,2alpha,3beta,11balpha)-1a,2,3,11b-Tetrahydrobenz(h)oxireno(a)acridine-2,3-diol|1a,2,3,11b-Tetrahydrobenz(h)oxireno(a)acridine-2,3-diol (1aalpha,2alpha,3beta,11balpha)-|Benz(h)oxireno(a)acridine-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aalpha,2alpha,3beta,11balpha)-|(+/-)-10ALPHA,11BETA-DIHYDROXY-8ALPHA,9ALPHA-EPOXY-8,9,10,11-TETRAHYDROBENZ[C]ACRIDINE
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.08954 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.08954 |
| Monoisotopic Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 85617-41-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C(C(C5C4O5)O)O)N=C32 |
| InChIKey | VCPRLARWVRVGNP-UHFFFAOYSA-N |
Product Overview
Ccris 5421 (CAS 85617-41-0), with molecular formula C17H13NO3 and molecular weight 279.08954 g/mol. IUPAC: 5-oxa-10-azapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
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