Azide-C2-SS-C2-biotin

CAT: 0607-BA2458-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2458-100Size:100 mg

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CAS Number

1620523-64-9

Form

A solid

Molecular Formula

C14H24N6O2S3

Molecular Weight

404.57

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Azide-SS-biotin

CAS Number	1620523-64-9
PubChem CID	102514833
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(2-azidoethyldisulfanyl)ethyl]pentanamide
Molecular Formula	C14H24N6O2S3
Molecular Weight	404.6
XLogP	1.7
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	25
Formal Charge	0
Complexity	503

SMILES

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

InChI

InChI=1S/C14H24N6O2S3/c15-20-17-6-8-25-24-7-5-16-12(21)4-2-1-3-11-13-10(9-23-11)18-14(22)19-13/h10-11,13H,1-9H2,(H,16,21)(H2,18,19,22)/t10-,11-,13-/m0/s1

InChIKey

CMWHTSPPRPEKSH-GVXVVHGQSA-N

Chemical Structure

2D Structure

CAS: 1620523-64-9

CID: 102514833

Formula: C14H24N6O2S3

MW: 404.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	404.6
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	404.11228755
Monoisotopic Mass	404.11228755
Topological Polar Surface Area	160 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	503
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

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T14392-01	Azide-C2-SS-C2-biotin
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HY-138358-01	Azido-PEG23-C2-azide
T14155-01	Ald-C2-PEG4-azide
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Azide-C2-SS-C2-biotin

Chemical Information

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