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Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(N(CCCl)CCCl)OC1C2O- InChIKey
JALYFSGCWRLNPP-UHFFFAOYSA-N- Molecular formula
- C27H51Cl2N2O7P
- Average molar mass
- 617.6 g/mol
- Monoisotopic mass
- 616.2810944
Names & identifiers
- Preferred name
- (3-(Bis(2-chloroethyl)amino)-9-hydroxy-6-methoxy-3-oxido-2,7-dioxa-4-aza-3-phosphabicyclo[3.3.1]non-8-yl)methyl palmitate
- IUPAC
- [3-[bis(2-chloroethyl)amino]-9-hydroxy-6-methoxy-3-oxo-2,7-dioxa-4-aza-3lambda5-phosphabicyclo[3.3.1]nonan-8-yl]methyl hexadecanoate
Names & synonyms
NSC642915Neuro_000320CHEMBL1971165NSC-642915(3-(Bis(2-chloroethyl)amino)-9-hydroxy-6-methoxy-3-oxido-2,7-dioxa-4-aza-3-phosphabicyclo[3.3.1]non-8-yl)methyl palmitateNCI60_014499[3-[bis(2-chloroethyl)amino]-9-hydroxy-8-methoxy-3-oxo-4,7-dioxa-2-aza-3$l^{5}-phosphabicyclo[3.3.1]nonan-6-yl]methyl hexadecanoate
Database identifiers
- PubChem CID
- 370171
- ChEMBL
CHEMBL1971165
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 718
Related reactions
0 records
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Compound notes
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