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Meropenem Impurity 7

CAT: 1299-RM-M181607-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M181607-02Size:25 mg
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CAS Number
396717-61-6
Synonyms
(4R,5R,6S) -4-nitrobenzyl 3- ((diphenoxyphosphoryl) oxy) -6- ((S) -1-hydroxyethyl) -4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Formula
C29H27N2O10P
Molecular Weight
594.51
Target Alternative Name
Meropenem
Product Name Synonym
(4R,5R,6S) -4-nitrobenzyl 3- ((diphenoxyphosphoryl) oxy) -6- ((S) -1-hydroxyethyl) -4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Chemical Information

C29H27N2O10P
CAS Number396717-61-6
PubChem CID51035316
IUPAC Name(4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular FormulaC29H27N2O10P
Molecular Weight594.5
XLogP4.8
Topological Polar Surface Area157
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1060
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@H](C)O
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-/m1/s1
InChIKey
STULDTCHQXVRIX-APTYZTEPSA-N
Chemical Structure
2D Structure
2D structure of C29H27N2O10P
CAS: 396717-61-6
CID: 51035316
Formula: C29H27N2O10P
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass594.14033206
Monoisotopic Mass594.14033206
Topological Polar Surface Area157 Ų
Heavy Atom Count42
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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