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Spacer C12 phosphoramidite

CAT: 0804-HY-W784609Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W784609Size:1 Each
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Description
Spacer C12 phosphoramidite is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
158665-27-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
N#CCCOP(N(C(C)C)C(C)C)OCCCCCCCCCCCCOC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=CC=C3
Molecular Formula
C42H61N2O5P
Molecular Weight
704.92
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Spacer-C 12 cep
CAS Number158665-27-1
PubChem CID67547892
IUPAC Name3-[12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC42H61N2O5P
Molecular Weight704.9
XLogP10.7
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Heavy Atom Count50
Formal Charge0
Complexity858
SMILES
CC(C)N(C(C)C)P(OCCCCCCCCCCCCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OCCC#N
InChI
InChI=1S/C42H61N2O5P/c1-35(2)44(36(3)4)50(49-34-20-31-43)48-33-19-14-12-10-8-7-9-11-13-18-32-47-42(37-21-16-15-17-22-37,38-23-27-40(45-5)28-24-38)39-25-29-41(46-6)30-26-39/h15-17,21-30,35-36H,7-14,18-20,32-34H2,1-6H3
InChIKey
QZFCUJPRTWVAIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spacer-C 12 cep
CAS: 158665-27-1
CID: 67547892
Formula: C42H61N2O5P
MW: 704.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.9
XLogP310.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count26
Exact Mass704.43181005
Monoisotopic Mass704.43181005
Topological Polar Surface Area73.2 Ų
Heavy Atom Count50
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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