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87-08-1

87-08-1 structural image
Product Name: PENICILLIN V
Formula: C16H18N2O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Penicillin v is a white crystalline powder. (NTP, 1992)
Color/Form white, crystalline powder
Odor Odorless
Melting Point 248 to 262 °F (Decomposes) (NTP, 1992)
Solubility less than 1 mg/mL at 55 °F (NTP, 1992)
LogP 2.09
Stability/Shelf Life Stable in air up to 37 °C; relatively stable to acid.
Optical Rotation The biologically active form is the dextrorotatory D-form; the DL-form is half as active. L-Penicillin V has little, if any, antibiotic activity. Maximum absorption: 268, 274 nm (E= 1330, 1100).
pH 2.5-4.0 (saturated solution)
Dissociation Constants 2.735
Collision Cross Section 182.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]
Other Experimental Properties 120-128 °C (decomp)

COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 350.09364285 g/mol
Monoisotopic Mass 350.09364285 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 547
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Penicillin v is a white crystalline powder. (NTP, 1992)