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54397-85-2

54397-85-2 structural image
Product Name: THROMBOXANE B2
Formula: C20H34O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 202.08 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]

COMPUTED DESCRIPTORS

Molecular Weight 370.5 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 370.23553880 g/mol
Monoisotopic Mass 370.23553880 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 448
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Thromboxane B2 is a member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It has a role as a human metabolite and a mouse metabolite. It is a conjugate acid of a thromboxane B2(1-).