| CAS Number | 379270-35-6 |
| Catalog Number | AG00CKM1(AGN-PC-0RF0AU) |
| Chemical Name | [[(1R)-2-(6-aMino-9H-purin-9-yl)-1-Methylethoxy]Methyl]-, Monophenylester |
| EC Number | 807-851-4 |
| IUPAC Name | [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid |
| InChI | InChI=1S/C15H18N5O4P/c1-11(7-20-9-19-13-14(16)17-8-18-15(13)20)23-10-25(21,22)24-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)(H2,16,17,18)/t11-/m1/s1 |
| InChI Key | ITAMCOCNZJPJDF-LLVKDONJSA-N |
| MDL Number | MFCD28386144 |
| Molecular Formula | C15H18N5O4P |
| Molecular Weight | 363.3083 |
| SMILES | C[C@@H](OCP(O)(OC1=CC=CC=C1)=O)CN2C=NC3=C(N)N=CN=C23 |
| Synonyms | 379270-35-6,
phenyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate,
(R)-Phenyl hydrogen (((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate,
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid,
SCHEMBL13155602,
SCHEMBL19370730,
ITAMCOCNZJPJDF-LLVKDONJSA-N,
MFCD28386144,
AKOS030528681,
ZINC202529174,
ACN-050763,
CS-W004381,
[[(1R)-2-(6-aMino-9H-purin-9-yl)-1-Methylethoxy]Methyl]-, Monophenylester,
Phenyl ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate,
9-[(R)-2-(phenylphosphonomethoxy)propyl]adenine,
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| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.314g/mol |
| Monoisotopic Mass | 363.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number