Allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid
Basic information
- CAS
959861-29-1- Standard SMILES
C=CCOC(=O)OCOP(=O)(O)COCCn1cnc2c(N)ncnc21- InChIKey
CBOYVGZOPFBDAV-UHFFFAOYSA-N- Molecular formula
- C13H18N5O7P
- Average molar mass
- 387.29 g/mol
- Monoisotopic mass
- 387.09438493
Names & identifiers
- Preferred name
- Allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid
- IUPAC
- 2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid
Names & synonyms
CHEMBL1182584DTXSID801111909allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid959861-29-1({[(Prop-2-en-1-yl)oxy]carbonyl}oxy)methyl hydrogen {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate2,4,7-Trioxa-5-phosphanonanoic acid, 9-(6-amino-9H-purin-9-yl)-5-hydroxy-, 2-propen-1-yl ester, 5-oxide
Database identifiers
- CAS
959861-29-1- PubChem CID
- 44444238
- DTXSID
DTXSID801111909- ChEMBL
CHEMBL1182584
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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