10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)
Basic information
- CAS
29762-25-2- Standard SMILES
CC(=O)OCC12SSC3(CC4=CC=CC(O)C4N3C1=O)C(=O)N2C- InChIKey
QLYAMRRLJDIHHT-UHFFFAOYSA-N- Molecular formula
- C15H16N2O5S2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.05006396
Names & identifiers
- Preferred name
- 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)
- IUPAC
- (7-hydroxy-15-methyl-10,14-dioxo-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-dien-11-yl)methyl acetate
Names & synonyms
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)29762-25-2RefChem:235837DTXSID30952189(6-Hydroxy-2-methyl-1,4-dioxo-1,2,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indol-3(4H)-yl)methyl acetate
Database identifiers
- CAS
29762-25-2- PubChem CID
- 207358
- DTXSID
DTXSID30952189
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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