Products for Research Use Only
RegisterLogin

DOTA-tris (tBu) ester NHS ester

CAT: 0931-T40927-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T40927-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
819869-77-7
Target
Others
Related Pathways
Others
Bioactivity
DOTA-tris (tBu) ester NHS ester, a derivative of DOTA, serves for the labeling of peptides and antibodies.
Smiles
CC(C)(C)OC(=O)CN1CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1
Molecular Formula
C32H55N5O10
Molecular Weight
669.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DOTA-tris(tBu)ester NHS ester
CAS Number819869-77-7
PubChem CID11216035
IUPAC Nametert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular FormulaC32H55N5O10
Molecular Weight669.8
XLogP1.9
Topological Polar Surface Area156
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity1060
SMILES
CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)ON2C(=O)CCC2=O)CC(=O)OC(C)(C)C
InChI
InChI=1S/C32H55N5O10/c1-30(2,3)44-26(40)20-33-12-14-34(21-27(41)45-31(4,5)6)16-18-36(23-29(43)47-37-24(38)10-11-25(37)39)19-17-35(15-13-33)22-28(42)46-32(7,8)9/h10-23H2,1-9H3
InChIKey
XIICJKXKEDCZEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DOTA-tris(tBu)ester NHS ester
CAS: 819869-77-7
CID: 11216035
Formula: C32H55N5O10
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Exact Mass669.39489297
Monoisotopic Mass669.39489297
Topological Polar Surface Area156 Ų
Heavy Atom Count47
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T17842-01DOTA-​NHS-​ester
T19098-012-Aminoethyl-mono-amide-DOTA-tris (tBu ester)
T200139-01DOTA-​NHS-ester TFA
TSH-00330-01DOTA-NHS-ester hexafluorophosphate TFA
TSH-00151-01Butyne-DOTA-tris (t-butyl ester)
TSH-00152-014-Aminobutyl-DOTA-tris (t-butyl ester)
T205823AF647 NHS ester tris (triethylammonium) salts
TSH-00096-01DOTAM-NHS-ester
TSH-00138-01Maleimido-mono-amide-DOTA-tris (t-Bu ester)
TSH-00048-01Azido-mono-amide-DOTA-tris (t-Bu ester)

Alternative Products

CatalogName
OR904563-01DOTA-tris (tBu) ester
OR1030880-01Dota-Tris (Tbu) Ester Nhs Ester
MBS5801081DOTA-tris(tBu)ester NHS ester
HY-W999782Propargyl-DOTA-tris (tBu) ester
MBS387308-012-Aminoethyl-mono-amide-DOTA-tris (tBu ester)
2782-1gDOTA-tris-tBu mono-NHS ester, 1 g
2782-100mgDOTA-tris-tBu mono-NHS ester, 100 mg
2782-500mgDOTA-tris-tBu mono-NHS ester, 500 mg
MBS57717912-Aminoethyl-mono-amide-DOTA-tris(tBu ester)
A12574-102-Aminoethyl-mono-amide-DOTA-tris (tBu ester) 10mg

Popular Products