((3Ar,4R,6R,6ar)-6-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-D][1,3]dioxol-4-yl)methyl isobutyrate

C16H23N3O7CAS 2346620-55-9369.37 g/mol

Open in Covalent MOL file
OOONNONHOHOO
AcetalEsterEtherSecondary amine

Properties

Molecular formula
C16H23N3O7
Molar mass
369.37 g/mol
Exact mass
369.1536 Da
logP
0.66Crippen estimate
Polar surface area
121.1 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
5
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2346620-55-9
SMILES
CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=NC3=O)NO)OC(O2)(C)C
InChIKey
MNKXNZQOZRWRKB-OJAKKHQRSA-N
InChI
InChI=1S/C16H23N3O7/c1-8(2)14(20)23-7-9-11-12(26-16(3,4)25-11)13(24-9)19-6-5-10(18-22)17-15(19)21/h5-6,8-9,11-13,22H,7H2,1-4H3,(H,17,18,21)/t9-,11-,12-,13-/m1/s1

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Names and synonyms

1 names
  • ((3aR,4R,6R,6aR)-6-((4Z)-4-(Hydroxyimino)-2-oxo-3,4-dihydropyrimidin1(2H)-yl)-2,2-dimethyltetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-yl)methyl2methylpropanoate

Work with ((3Ar,4R,6R,6ar)-6-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-D][1,3]dioxol-4-yl)methyl isobutyrate

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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