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

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

HCID 452875
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
133488-22-9
Standard SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)C[C@H]1N1C(=O)c2ccccc2C1=O
InChIKey
YXXKFXXXXDCPBW-BDXSIMOUSA-N
Molecular formula
C22H20BrN3O9
Average molar mass
550.3 g/mol
Monoisotopic mass
549.03829

Names & identifiers

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

Names & synonyms

133488-22-92,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl)-DTXSID40928138[(2R)-2-acetoxy-2-[(2S,3R,5S)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydrofuran-2-yl]ethyl] acetate1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-2,3-.alpha.-D-arabino-hexofuranosyl)-5-bromouracil2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.alpha.-D-arabino-hexofuranosyl]-5-Bromo-1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-alpha-D-arabino-hexofuranosyl]-4-hydroxypyrimidin-2(1H)-one5-Bromo-1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexofuranosyl]-4-hydroxypyrimidin-2(1H)-one

Database identifiers

CAS
133488-22-9
PubChem CID
452875
DTXSID
DTXSID40928138

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
149 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
35
Formal charge
0
Complexity
975

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