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Cbz-TRIS-PDA-OtBu

CAT: 0804-HY-W807367Size: 1 EachDry Ice: NoHazardous: No
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Description
Cbz-TRIS-PDA-OtBu is an important compound that can be used in nucleic acid-related research.
CAS Number
1162069-31-9
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(NCCCNC(CCOCC(COCCC(NCCCNC(OC(C)(C)C)=O)=O)(COCCC(NCCCNC(OC(C)(C)C)=O)=O)NC(OCC1=CC=CC=C1)=O)=O)OC(C)(C)C
Molecular Formula
C45H77N7O14
Molecular Weight
940.13
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Benzyl di-tert-butyl (10-(13,13-dimethyl-5,11-dioxo-2,12-dioxa-6,10-diazatetradecyl)-5,15-dioxo-8,12-dioxa-4,16-diazanonadecane-1,10,19-triyl)tricarbamate
CAS Number1162069-31-9
PubChem CID57874606
IUPAC Namebenzyl N-[1,3-bis[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]carbamate
Molecular FormulaC45H77N7O14
Molecular Weight940.1
XLogP1.8
Topological Polar Surface Area268
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Heavy Atom Count66
Formal Charge0
Complexity1320
SMILES
CC(C)(C)OC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)OC(C)(C)C)(COCCC(=O)NCCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C45H77N7O14/c1-42(2,3)64-38(56)49-24-13-21-46-35(53)18-27-60-31-45(52-41(59)63-30-34-16-11-10-12-17-34,32-61-28-19-36(54)47-22-14-25-50-39(57)65-43(4,5)6)33-62-29-20-37(55)48-23-15-26-51-40(58)66-44(7,8)9/h10-12,16-17H,13-15,18-33H2,1-9H3,(H,46,53)(H,47,54)(H,48,55)(H,49,56)(H,50,57)(H,51,58)(H,52,59)
InChIKey
NEGMHOPQXWCPBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl di-tert-butyl (10-(13,13-dimethyl-5,11-dioxo-2,12-dioxa-6,10-diazatetradecyl)-5,15-dioxo-8,12-dioxa-4,16-diazanonadecane-1,10,19-triyl)tricarbamate
CAS: 1162069-31-9
CID: 57874606
Formula: C45H77N7O14
MW: 940.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight940.1
XLogP31.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Exact Mass939.55285016
Monoisotopic Mass939.55285016
Topological Polar Surface Area268 Ų
Heavy Atom Count66
Formal Charge0
Complexity1320
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

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