Products for Research Use Only

Dde Biotin-PEG4-alkyne

CAT: 0127-OR1007148Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1007148Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1802908-00-4
Purity
97%
Smiles
O=C(NCCOCCOCCOCCOCC/C(NCC#C)=C1C(CC(C)(C)CC1=O)=O)CCCC[C@H]2SC[C@@]([C@@]2([H])N3)([H])NC3=O

Chemical Information

CID 146026256
CAS Number1802908-00-4
PubChem CID146026256
IUPAC Name5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-prop-2-ynyliminopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC32H50N4O8S
Molecular Weight650.8
XLogP0.6
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count45
Formal Charge0
Complexity1100
SMILES
CC1(CC(=C(C(=O)C1)C(=NCC#C)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2[C@H]3[C@@H](CS2)NC(=O)N3)O)C
InChI
InChI=1S/C32H50N4O8S/c1-4-10-33-23(29-25(37)20-32(2,3)21-26(29)38)9-12-41-14-16-43-18-19-44-17-15-42-13-11-34-28(39)8-6-5-7-27-30-24(22-45-27)35-31(40)36-30/h1,24,27,30,37H,5-22H2,2-3H3,(H,34,39)(H2,35,36,40)/t24-,27-,30-/m1/s1
InChIKey
BDJHEZRAKBBIJH-UCVANPEUSA-N
Chemical Structure
2D Structure
2D structure of CID 146026256
CAS: 1802908-00-4
CID: 146026256
Formula: C32H50N4O8S
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight650.8
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass650.33493574
Monoisotopic Mass650.33493574
Topological Polar Surface Area182 Ų
Heavy Atom Count45
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes