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Alkyne-Modifier SerinolPhosphoramidite

CAT: 0013-GTR19280426-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280426-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alkyne-Modifier SerinolPhosphoramidite is Spacer monomer, used for oligonucleotide synthesis research.
CAS Number
2084118-98-7
Smiles
N#CCCOP (OCC (NC (=O) CCNC (=O) CCCC#C) COC (C=1C=CC=CC1) (C2=CC=C (OC) C=C2) C3=CC=C (OC) C=C3) N (C (C) C) C (C) C
Molecular Formula
C42H55N4O7P
Molecular Weight
758.9
Notes
For research use only.

Chemical Information

Alkyne-Modifier Serinol Phosphoramidite
CAS Number2084118-98-7
PubChem CID86580417
IUPAC NameN-[3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropan-2-yl]amino]-3-oxopropyl]hex-5-ynamide
Molecular FormulaC42H55N4O7P
Molecular Weight758.9
XLogP5.5
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Heavy Atom Count54
Formal Charge0
Complexity1150
SMILES
CC(C)N(C(C)C)P(OCCC#N)OCC(COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)NC(=O)CCNC(=O)CCCC#C
InChI
InChI=1S/C42H55N4O7P/c1-8-9-11-17-40(47)44-28-26-41(48)45-37(31-53-54(52-29-14-27-43)46(32(2)3)33(4)5)30-51-42(34-15-12-10-13-16-34,35-18-22-38(49-6)23-19-35)36-20-24-39(50-7)25-21-36/h1,10,12-13,15-16,18-25,32-33,37H,9,11,14,17,26,28-31H2,2-7H3,(H,44,47)(H,45,48)
InChIKey
AGVCOEQZDILAFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alkyne-Modifier Serinol Phosphoramidite
CAS: 2084118-98-7
CID: 86580417
Formula: C42H55N4O7P
MW: 758.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight758.9
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Exact Mass758.38083710
Monoisotopic Mass758.38083710
Topological Polar Surface Area131 Ų
Heavy Atom Count54
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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