Basic information
- CAS
441785-23-5- Standard SMILES
Nc1nc(Cl)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1- InChIKey
MHNAKYHTAISYPF-UHFFFAOYSA-N- Molecular formula
- C10H13ClN5O4P
- Average molar mass
- 333.67 g/mol
- Monoisotopic mass
- 333.03936821
Names & identifiers
- Preferred name
- [1-[(2-Amino-6-chloro-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid
- IUPAC
- [1-[(2-amino-6-chloropurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Names & synonyms
LB80316CHEMBL97237SCHEMBL2912383MHNAKYHTAISYPF-UHFFFAOYSA-NDTXSID401127544[1-[(2-amino-6-chloro-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid441785-23-5({1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropy}oxy)methyl phosphonic acid({1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl}oxy)methyl Phosphonic Acid[({1-[(2-Amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl}oxy)methyl]phosphonic acidP-[[[1-[(2-Amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]phosphonic acidPhosphonic acid, [[[1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-
Database identifiers
- CAS
441785-23-5- PubChem CID
- 5270772
- DTXSID
DTXSID401127544- ChEMBL
CHEMBL97237
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Related reactions
1 records
Compound notes
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