1-[5-[Bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic information
- CAS
77887-10-6- Standard SMILES
Cc1cn(C2CC(O)C(COP(=O)(N3CC3(C)C)N3CC3(C)C)O2)c(=O)[nH]c1=O- InChIKey
GBGGASNAWLREPF-UHFFFAOYSA-N- Molecular formula
- C18H29N4O6P
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.18247166
Names & identifiers
- Preferred name
- 1-[5-[Bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-[5-[bis(2,2-dimethylaziridin-1-yl)phosphoryloxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 5'-O-[Bis(2,2-dimethyl-1-aziridinyl)phosphinyl]thymidine
- Molecular weight
- 0
Names & synonyms
NSC20072977887-10-6DTXSID00307985NSC-2007291-{5-O-[Bis(2,2-dimethylaziridin-1-yl)phosphoryl]-2-deoxypentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dioneTHYMIDINE, 5'-[BIS(2,2-DIMETHYL-1-AZIRIDINYL)PHOS...5'-O-[Bis(2,2-dimethyl-1-aziridinyl)phosphinyl]thymidineThymidine 5'-[bis(2,2-dimethyl-1-aziridinyl)phosphinic acid]
Database identifiers
- CAS
77887-10-6- PubChem CID
- 304644
- DTXSID
DTXSID00307985
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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