4-Nitrobenzyl (4S,5R,6S)-3-[(diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyc - CAS 189188-38-3
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Catalog Number: R017891
CAS Number: 189188-38-3
PubChem Substance ID:355125093
Molecular Formula: C29H27N2O10P
Molecular Weight:594.513
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | (4S,5R,6S)-3-[(Diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid (4-Nitrophenyl)methyl Ester |
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Property
Molecular Formula: | C29H27N2O10P |
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Molecular Weight | 594.513 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | (4-nitrophenyl)methyl (4S,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate |
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InChI | InChI=1S/C29H27N2O10P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)38-17-20-13-15-21(16-14-20)31(35)36)27(18)41-42(37,39-22-9-5-3-6-10-22)40-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19+,24+,25+/m0/s1 |
InChIKey | STULDTCHQXVRIX-NUQURWJTSA-N |
SMILES | CC1C2C(C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O |