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Chemical structure of 11-dehydro Thromboxane B2-d4

GC46408

11-dehydro Thromboxane B2-d4

Also known as (Z)-3,3,4,4-tetradeuterio-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid

An internal standard for the quantification of 11dehydro thromboxane B2

ChemicalCAS1240398-15-5MW372.5FormulaC20H28D4O6
CAS number
1240398-15-5
Molecular weight
372.5
Formula
C20H28D4O6
Solubility
DMF： >50 mg/ml (from TXB2),DMSO： >25 mg/ml (from TXB2),Ethanol： >100 mg/ml (from TXB2),PBS pH 7·2： >100 μg/ml (from TXB2)
InChIKey
KJYIVXDPWBUJBQ-ZUCLGDGSSA-N
Catalogue number
GC46408
Brand
GLPBIO
Computed properties PubChem CID 156593929 · XLogP 2.6 · TPSA 104 Ų · H-bond donors 3
XLogP
2.6
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
26

SMILES [2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@H]1[C@H](CC(=O)O[C@@H]1/C=C/[C@@H](CCCCC)O)O

Computed descriptors from PubChem (CID 156593929), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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