[4-(Hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] tetradecanoate
Basic information
- CAS
53758-26-2- Standard SMILES
CCCCCCCCCCCCCC(=O)OC1C(CO)OC2C1Oc1nc(=N)ccn12- InChIKey
BLSSJOQQCHQEIS-UHFFFAOYSA-N- Molecular formula
- C23H37N3O5
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.27332129
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] tetradecanoate
- IUPAC
- [4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] tetradecanoate
Names & synonyms
NSC281720DTXSID803305942-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl tetradecanoateTetradecanoic 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
53758-26-2- PubChem CID
- 430745
- DTXSID
DTXSID80330594
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 666
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Compound notes
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