(5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
Basic information
- CAS
53758-33-1- Standard SMILES
CCCCCCCCCCCC(=O)OCC1OC2C(Oc3nc(=N)ccn32)C1OC(=O)CCCCCCCCCCC- InChIKey
ZDSNAYXGSXVZJV-UHFFFAOYSA-N- Molecular formula
- C33H55N3O6
- Average molar mass
- 589.8 g/mol
- Monoisotopic mass
- 589.40908648
Names & identifiers
- Preferred name
- (5-Dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
- IUPAC
- (5-dodecanoyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl)methyl dodecanoate
Names & synonyms
NSC28172353758-33-1DTXSID00330596NSC-281723[3-(Dodecanoyloxy)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl]methyl dodecanoateDodecanoic acid,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
Database identifiers
- CAS
53758-33-1- PubChem CID
- 430748
- DTXSID
DTXSID00330596
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 25
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 891
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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