[4-(Hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
Basic information
- CAS
53758-27-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1C(CO)OC2C1Oc1nc(=N)ccn12- InChIKey
QZOQAMJDLIAKHT-UHFFFAOYSA-N- Molecular formula
- C27H45N3O5
- Average molar mass
- 491.7 g/mol
- Monoisotopic mass
- 491.33592154
Names & identifiers
- Preferred name
- [4-(Hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
- IUPAC
- [4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
Names & synonyms
NSC28172153758-27-3DTXSID40330595NSC-2817212-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl octadecanoateOctadecanoic acid,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-3-yl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
Database identifiers
- CAS
53758-27-3- PubChem CID
- 430746
- DTXSID
DTXSID40330595
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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