Products for Research Use Only
RegisterLogin

GalNAc-L96 free base

CAT: 0013-GTR19213388-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19213388-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
GalNAc-L96 free base, the G-rich oligonucleotides carrying the longer GalNAc linker that can be used for delivery of nucleic acid drugs.
CAS Number
1159408-61-3
Purity
>98%
Smiles
C (C1C=CC=CC=1) (C1C=CC (=CC=1) OC) (C1C=CC (=CC=1) OC) OC[C@@H]1C[C@H] (CN1C (=O) CCCCCCCCCCC (=O) NC (COCCC (=O) NCCCNC (=O) CCCCO[C@@H]1O[C@@H] ([C@@H] ([C@@H] ([C@H]1NC (=O) C) OC (=O) C) OC (=O) C) COC (=O) C) (COCCC (=O) NCCCNC (=O) CCCCO[C@@H]1O[C@@H] ([C@@H] ([C@@H] ([C@H]1NC (=O) C) OC (=O) C) OC (=O) C) COC (=O) C) COCCC (=O) NCCCNC (=O) CCCCO[C@@H]1O[C@@H] ([C@@H] ([C@@H] ([C@H]1NC (=O) C) OC (=O) C) OC (=O) C) COC (=O) C) OC (=O) CCC (=O) O
Molecular Formula
C121H179N11O45
Molecular Weight
2507.76
Notes
For research use only.

Chemical Information

GalNAc-L96 free base

Ribonucleic Acid is single-stranded long chain of nucleotides containing ribose. It is the end product of DNA transcription by the enzyme RNA polymerase. It is essential in protein synthesis.

CAS Number1159408-61-3
PubChem CID162394059
IUPAC Name4-[(3R,5S)-1-[12-[[1,3-bis[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoyl]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-3-yl]oxy-4-oxobutanoic acid
Molecular FormulaC121H179N11O45
Molecular Weight2507.8
XLogP1.7
Topological Polar Surface Area722
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count45
Rotatable Bond Count94
Heavy Atom Count177
Formal Charge0
Complexity4770
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)NC(=O)CCCCCCCCCCC(=O)N4C[C@@H](C[C@H]4COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OC(=O)CCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C121H179N11O45/c1-76(133)128-108-114(171-85(10)142)111(168-82(7)139)95(70-164-79(4)136)175-117(108)161-61-29-26-37-98(145)122-55-32-58-125-101(148)52-64-158-73-120(74-159-65-53-102(149)126-59-33-56-123-99(146)38-27-30-62-162-118-109(129-77(2)134)115(172-86(11)143)112(169-83(8)140)96(176-118)71-165-80(5)137,75-160-66-54-103(150)127-60-34-57-124-100(147)39-28-31-63-163-119-110(130-78(3)135)116(173-87(12)144)113(170-84(9)141)97(177-119)72-166-81(6)138)131-104(151)40-24-19-17-15-16-18-20-25-41-105(152)132-68-94(174-107(155)51-50-106(153)154)67-91(132)69-167-121(88-35-22-21-23-36-88,89-42-46-92(156-13)47-43-89)90-44-48-93(157-14)49-45-90/h21-23,35-36,42-49,91,94-97,108-119H,15-20,24-34,37-41,50-75H2,1-14H3,(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,133)(H,129,134)(H,130,135)(H,131,151)(H,153,154)/t91-,94+,95+,96+,97+,108+,109+,110+,111-,112-,113-,114+,115+,116+,117+,118+,119+/m0/s1
InChIKey
XKEQVRGRWUKTIZ-OLTBZPFJSA-N
Chemical Structure
2D Structure
2D structure of GalNAc-L96 free base
CAS: 1159408-61-3
CID: 162394059
Formula: C121H179N11O45
MW: 2507.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2507.8
XLogP31.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count45
Rotatable Bond Count94
Exact Mass2507.2090075
Monoisotopic Mass2506.2056526
Topological Polar Surface Area722 Ų
Heavy Atom Count177
Formal Charge0
Complexity4770
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19216131-01GalNac-L96
GTR19242228-01GalNAc-L96
GTR19236808-01GalNAc-L96-Amide
GTR19213386-01GalNAc-L96-CPG
GTR19213384-01GalNAc-L96 Phosphoramidite
GTR19216132-01GalNac-L96 analog
GTR19213387-01GalNAc-L96-PS
GTR19242233-01GalNac-L96 triethylamine salt
GTR19277337-01L96 intermediate
GTR19347191-01Auramine free base

Alternative Products

CatalogName
HY-153184GalNAc-L96 (free base)
TB0954TMB free base
MBS5779607Amidantel free base
HY-164399ASST0116CL1 (free base)
HY-120475BPBT434 (free base)
FX56092-01Xylazine - free base
XN175452-01Norharman - free base
T-8100-01Tryptamine, free base
HY-119820Xaliproden (free base)
HY-132302A-01Hu7691 (free base)

Popular Products