7-Decyloxy-7-demethoxymitomycin A
Basic information
- CAS
76079-89-5- Standard SMILES
CCCCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21- InChIKey
YQXMCMHWBJGZIQ-UHFFFAOYSA-N- Molecular formula
- C25H37N3O6
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.26823591
Names & identifiers
- Preferred name
- 7-Decyloxy-7-demethoxymitomycin A
- IUPAC
- (11-decoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate
Names & synonyms
7-Decyloxy-7-demethoxymitomycin A7-Decyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate76079-89-5Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-decycloxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamateRefChem:310710DTXSID50997411[6-(Decyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate[6-(Decyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Database identifiers
- CAS
76079-89-5- PubChem CID
- 53438
- DTXSID
DTXSID50997411- Nikkaji
- J84.783F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 912
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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