Compound C11H13N3O4

1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione

CAS: 123533-12-0

Molecular Formula	`C11H13N3O4`
Molecular Weight	251.24 g/mol
LogP	-1.2
Topological Polar Surface Area	83.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	251.0906
Heavy Atoms	18
Complexity	464.0

Chemical Identifiers

CAS Number	123533-12-0
SMILES	`CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)[N+]#[C-]`
InChIKey	`NQXZOJJOKDQOHV-DJLDLDEBSA-N`

📖 Product Overview

Compound C11H13N3O4 (CAS: 123533-12-0) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.24 g/mol. Its IUPAC systematic name is 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]-5-methylpyrimidine-2,4-dione. LogP -1.2 Topological Polar Surface Area 83.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 251.0906 Heavy Atoms 18 Complexity 464.0 InChI Key: NQXZOJJOKDQOHV-DJLDLDEBSA-N. SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)[N+]#[C-].

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