4(1H)-Pyrimidinone, 2-amino-5-[2,3-O-(1-methylethylidene)-5-O-(triphenylmethyl)-D-ribofuranosyl]-
Basic information
- CAS
57100-19-3- Standard SMILES
CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)OC(c3cnc(N)[nH]c3=O)[C@@H]2O1- InChIKey
NMLSDCZQNKIMKU-BKILYWIHSA-N- Molecular formula
- C31H31N3O5
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.2263711
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-amino-5-[2,3-O-(1-methylethylidene)-5-O-(triphenylmethyl)-D-ribofuranosyl]-
- IUPAC
- 5-[(3aS,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-pyrimidin-6-one
- English name
- 5'-O-Triphenylmethyl-2',3'-di-O-isopropylidene pseudoisocytidine
- Molecular formula
- C31H31N3O5
- Molecular weight
- 525.59
Names & synonyms
57100-19-3SCHEMBL11622832DTXSID7011159582-Amino-5-((3aS,6R,6aR)-2,2-dimethyl-6-((trityloxy)methyl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)pyrimidin-4(3H)-one4(1H)-Pyrimidinone, 2-amino-5-[2,3-O-(1-methylethylidene)-5-O-(triphenylmethyl)-D-ribofuranosyl]-ND1628935'-O-Triphenylmethyl-2',3'-di-O-isopropylidenepseudoisocytidine(1xi)-1-(2-Amino-6-oxo-1,6-dihydropyrimidin-5-yl)-1,4-anhydro-2,3-O-(1-methylethylidene)-5-O-(triphenylmethyl)-D-ribitol2',3'-Di-O-isopropylidene-5'-O-tritylpseudoisocytidine5'-O-Triphenylmethyl-2',3'-di-O-isopropylidene pseudoisocytidine2-amino-5-(O2,O3-isopropylidene-O5-trityl-ξ-D-ribofuranosyl)-3H-pyrimidin-4-one4(1H)-Pyrimidinone, 2-amino-5-[2,3-O-(1-methylethylidene)-5-O-(triphenylmethyl)-D-ribofuranosyl]- (9CI)
Database identifiers
- CAS
57100-19-3- PubChem CID
- 21852986
- DTXSID
DTXSID701115958
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 900
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…