10,11-Dihydro-7-(hydroxymethyl)-12-methyl-benz(a)anthracene-10,11-diol, trans-
Basic information
- CAS
71722-00-4- Standard SMILES
Cc1c2c(c(CO)c3ccc4ccccc4c13)C=C[C@H](O)[C@H]2O- InChIKey
INTDLXHJDDGCMY-FXAWDEMLSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 10,11-Dihydro-7-(hydroxymethyl)-12-methyl-benz(a)anthracene-10,11-diol, trans-
- IUPAC
- (10S,11S)-7-(hydroxymethyl)-12-methyl-10,11-dihydrobenzo[a]anthracene-10,11-diol
Names & synonyms
S7JYW8KUIGUNII-S7JYW8KUIGBENZ(a)ANTHRACENE-10,11-DIOL, 10,11-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYL-, trans-71722-00-4trans-7-Hydroxymethyl-12-methylbenz(a)anthracene-10,11-dihydrodioltrans-10,11-Dihydro-7-(hydroxymethyl)-12-methylbenz(a)anthracene-10,11-diol10,11-Dihydro-7-(hydroxymethyl)-12-methyl-benz(a)anthracene-10,11-diol, trans-TRANS-10,11-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYLBENZ(A)ANTHRACENE-RefChem:197107Q27288779TRANS-7-HYDROXYMETHYL-12-METHYLBENZ(A)ANTHRACENE-10-11,DIHYDRODIOLtrans-10,11-dihydro-7-(hydroxymethyl)-12-methyl-benz(a)anthracene-10,11-diol
Database identifiers
- CAS
71722-00-4- PubChem CID
- 51388
- UNII
- S7JYW8KUIG
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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