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1174020-25-7

1174020-25-7 Structure

1174020-25-7 Structure
IdentificationBack Directory
[Name]

trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
[CAS]

1174020-25-7
[Synonyms]

(2S,5R)-6-(BENZYLOXY)-7-OXO
trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
(5R)-6-(benzyloxy)-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxylic acid
(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-carboxylic acid
(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
(1R,2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
(1r,2s,5r)-7-oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
Avebactam Intermediate 6: (1R, 2S, 5R) -6- (benzyloxy) -7-oxo-1,6-diazabicyclo [3.2.1] octane-2-carboxylic acid
[Molecular Formula]

C14H16N2O4
[MDL Number]

MFCD28502389
[MOL File]

1174020-25-7.mol
[Molecular Weight]

276.29
Chemical PropertiesBack Directory
[Boiling point ]

509.9±39.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[pka]

5.31±0.20(Predicted)
[InChI]

InChI=1S/C14H16N2O4/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m1/s1
[InChIKey]

UMHGLONVYIYIOU-NEPJUHHUSA-N
[SMILES]

[N@]12C[C@]([H])(N(OCC3=CC=CC=C3)C1=O)CC[C@H]2C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H335-H319-H315
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Spectrum DetailBack Directory
[Spectrum Detail]

trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid(1174020-25-7)1HNMR
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