4-Nitrobenzyl (5R,6S)-6-[(R)-1-Hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate - CAS 74288-40-7
Catalog: |
BB035045 |
Product Name: |
4-Nitrobenzyl (5R,6S)-6-[(R)-1-Hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate |
CAS: |
74288-40-7 |
Synonyms: |
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester; (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate |
IUPAC Name: | (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate |
Description: | Imipenem intermediate. |
Molecular Weight: | 348.31 |
Molecular Formula: | C16H16N2O7 |
Canonical SMILES: | CC(C1C2CC(=O)C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O |
InChI: | InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3/t8-,11-,13-,14?/m1/s1 |
InChI Key: | YBIDYTOJOXKBLO-USLOAXSXSA-N |
Boiling Point: | 601.3 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD13185915 |
LogP: | 0.64830 |
Publication Number | Title | Priority Date |
WO-2020206381-A1 | Cephem compounds with latent reactive groups and methods of using and making same | 20190403 |
WO-2020057592-A1 | Beta-lactam compounds and methods of use thereof | 20180920 |
CN-112955457-A | Beta-lactam compounds and methods of use thereof | 20180920 |
US-2021207188-A1 | Beta-lactam compounds and methods of use thereof | 20180920 |
CN-105175420-A | Doripenem preparation method | 20151014 |
Complexity: | 594 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.09575085 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.09575085 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 130 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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