HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-ribo-hexofuranosyl)-

HCID 452886
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
133488-33-2
Standard SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1N1C(=O)c2ccccc2C1=O
InChIKey
HSIIKZKPMSXPQB-NBMJBFSESA-N
Molecular formula
C22H21N3O9
Average molar mass
471.4 g/mol
Monoisotopic mass
471.12777926

Names & identifiers

Preferred name
2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-ribo-hexofuranosyl)-
IUPAC
[(2R)-2-acetyloxy-2-[(2S,3S,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate

Names & synonyms

133488-33-22,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-ribo-hexofuranosyl)-alpha-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexofuranosyl)uracil.alpha.-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexofuranosyl)uracil[(2R)-2-acetoxy-2-[(2S,3S,5S)-3-(1,3-dioxoisoindolin-2-yl)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate2,4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.alpha.-D-ribo-hexofuranosyl]-

Database identifiers

CAS
133488-33-2
PubChem CID
452886
Nikkaji
J385.246F

Properties

Computed structural properties

XLogP
0
Topological polar surface area
149 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
34
Formal charge
0
Complexity
924

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes