71953-80-5
Product Name:
9ALPHA, 11, 15S-TRIHYDROXY-THROMBA-5Z, 13E, 17Z-TRIEN-1-OIC ACID
Formula:
C20H32O6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 197.33 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 368.5 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 368.21988874 g/mol |
| Monoisotopic Mass | 368.21988874 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 485 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thromboxane B3 is a member of the class of thromboxanes B that is (5Z,13E,17Z)-thromboxa-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It has a role as a mouse metabolite and a human metabolite.