Biotin-PEG1-azide

CAT: 0607-BA2514-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2514-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1204085-48-2

Form

An oil

Molecular Formula

C14H24N6O3S

Molecular Weight

356.44

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Biotin-PEG1-azide

CAS Number	1204085-48-2
PubChem CID	99738043
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(2-azidoethoxy)ethyl]pentanamide
Molecular Formula	C14H24N6O3S
Molecular Weight	356.45
XLogP	0.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	24
Formal Charge	0
Complexity	485

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCN=[N+]=[N-])NC(=O)N2

InChI

InChI=1S/C14H24N6O3S/c15-20-17-6-8-23-7-5-16-12(21)4-2-1-3-11-13-10(9-24-11)18-14(22)19-13/h10-11,13H,1-9H2,(H,16,21)(H2,18,19,22)/t10-,11-,13-/m0/s1

InChIKey

KBBMDEIUGWVWEA-GVXVVHGQSA-N

Chemical Structure

2D Structure

CAS: 1204085-48-2

CID: 99738043

Formula: C14H24N6O3S

MW: 356.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.45
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	356.16305982
Monoisotopic Mass	356.16305982
Topological Polar Surface Area	119 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	485
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes