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Biotin-PEG4-MeTz

CAT: 0607-BA2557-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2557-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1962919-31-8
Form
A solid
Molecular Formula
C31H46N8O7S
Molecular Weight
674.81
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Biotin-PEG4-MeTz
CAS Number1962919-31-8
PubChem CID164512771
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC31H46N8O7S
Molecular Weight674.8
XLogP-1
Topological Polar Surface Area213
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Heavy Atom Count47
Formal Charge0
Complexity924
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
InChI
InChI=1S/C31H46N8O7S/c1-22-36-38-30(39-37-22)24-8-6-23(7-9-24)20-33-28(41)10-12-43-14-16-45-18-19-46-17-15-44-13-11-32-27(40)5-3-2-4-26-29-25(21-47-26)34-31(42)35-29/h6-9,25-26,29H,2-5,10-21H2,1H3,(H,32,40)(H,33,41)(H2,34,35,42)/t25-,26-,29-/m0/s1
InChIKey
FVPKDWZJCYTWCS-ZEZDXWPOSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-MeTz
CAS: 1962919-31-8
CID: 164512771
Formula: C31H46N8O7S
MW: 674.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.8
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass674.32101701
Monoisotopic Mass674.32101701
Topological Polar Surface Area213 Ų
Heavy Atom Count47
Formal Charge0
Complexity924
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

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