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NHS-SS-11-Biotin

CAT: 0607-A8016-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A8016-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Amine-reactive biotinylation reagent, mid-length
CAS Number
142439-92-7
Product Name Alternative
2,5-dioxopyrrolidin-1-yl 3- ((3-oxo-3- ((2- (5- ((3aS,4S,6aR) -2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl) pentanamido) ethyl) amino) propyl) disulfanyl) propanoate
Purity
0.98
Solubility
Insoluble in H2O; insoluble in EtOH; ≥16.83 mg/mL in DMSO
Smiles
O=C1N[C@]2 ([H]) [C@] ([C@H] (CCCCC (NCCNC (CCSSCCC (ON3C (CCC3=O) =O) =O) =O) =O) SC2) ([H]) N1
Molecular Formula
C22H33N5O7S3
Molecular Weight
575.72
Shipping Conditions
Blue Ice
Storage Conditions
Store at -20°C
Physical Properties
A solid

Chemical Information

(3aS,4S,6aR)-N-(2-((3-((3-((2,5-Dioxo-1-pyrrolidinyl)oxy)-3-oxopropyl)dithio)-1-oxopropyl)amino)ethyl)hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide
CAS Number142439-92-7
PubChem CID71312116
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[[3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propanoate
Molecular FormulaC22H33N5O7S3
Molecular Weight575.7
XLogP-1
Topological Polar Surface Area239
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity862
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C22H33N5O7S3/c28-16(4-2-1-3-15-21-14(13-35-15)25-22(33)26-21)23-9-10-24-17(29)7-11-36-37-12-8-20(32)34-27-18(30)5-6-19(27)31/h14-15,21H,1-13H2,(H,23,28)(H,24,29)(H2,25,26,33)/t14-,15-,21-/m0/s1
InChIKey
LWPHUVGDBNUVHA-GXZWQRSESA-N
Chemical Structure
2D Structure
2D structure of (3aS,4S,6aR)-N-(2-((3-((3-((2,5-Dioxo-1-pyrrolidinyl)oxy)-3-oxopropyl)dithio)-1-oxopropyl)amino)ethyl)hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide
CAS: 142439-92-7
CID: 71312116
Formula: C22H33N5O7S3
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass575.15421193
Monoisotopic Mass575.15421193
Topological Polar Surface Area239 Ų
Heavy Atom Count37
Formal Charge0
Complexity862
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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