Products for Research Use Only

11-dehydro Thromboxane B2-d4

CAT: 0024-sc-220574Size: 25 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-220574Size:25 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1240398-15-5

Chemical Information

11-dehydro Thromboxane B2-d4
CAS Number1240398-15-5
PubChem CID156593929
IUPAC Name(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
Molecular FormulaC20H32O6
Molecular Weight372.5
XLogP2.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity485
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
InChI
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1/i5D2,8D2
InChIKey
KJYIVXDPWBUJBQ-ZUCLGDGSSA-N
Chemical Structure
2D Structure
2D structure of 11-dehydro Thromboxane B2-d4
CAS: 1240398-15-5
CID: 156593929
Formula: C20H32O6
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass372.24499572
Monoisotopic Mass372.24499572
Topological Polar Surface Area104 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
Isotope Atom Count4
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products