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Cholesteryl TEG Phosphoramidite

CAT: 0572-TRC-C432540-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C432540-1GSize:1 g
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CAS Number
873435-29-1
Synonyms
(3β)-17-[[bis(4-Methoxyphenyl)phenylmethoxy]methyl]-19-[bis(1-methylethyl)amino]-22-cyano-6,9,12,15,18,20-hexaoxa-2-aza-19-phosphadocosanoatecholest-5-en-3-ol; Dimethoxytrityloxy-3-O-(N-cholesteryl-3-aminopropyl)triethyleneglycol-glyceryl-2-O-(2-cyanoethyl)(N,N,-diisopropyl)phosphoramidite;
Hazard Statement
No Data Available
Smiles
COc1ccc(cc1)C(OCC(COCCOCCOCCOCCCNC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)OP(OCCC#N)N(C(C)C)C(C)C)(c6ccccc6)c7ccc(OC)cc7
Molecular Formula
C70 H106 N3 O11 P
Molecular Weight
1196.578
InChI
InChI=1S/C70H106N3O11P/c1-51(2)18-15-19-54(7)64-32-33-65-63-31-26-58-48-61(34-36-68(58,8)66(63)35-37-69(64,65)9)83-67(74)72-39-17-40-77-42-43-78-44-45-79-46-47-80-49-62(84-85(82-41-16-38-71)73(52(3)4)53(5)6)50-81-70(55-20-13-12-14-21-55,56-22-27-59(75-10)
Additionnal Information
IUPAC name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[3-[2-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]ox
Shipping Conditions
Room Temperature

Chemical Information

Cholesteryl-TEG Phosphoramidite
CAS Number873435-29-1
PubChem CID78319523
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[3-[2-[2-[2-[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropoxy]ethoxy]ethoxy]ethoxy]propyl]carbamate
Molecular FormulaC70H106N3O11P
Molecular Weight1196.6
XLogP14.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count38
Heavy Atom Count85
Formal Charge0
Complexity1950
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCOCCOCCOCCOCC(COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N)C)C
InChI
InChI=1S/C70H106N3O11P/c1-51(2)18-15-19-54(7)64-32-33-65-63-31-26-58-48-61(34-36-68(58,8)66(63)35-37-69(64,65)9)83-67(74)72-39-17-40-77-42-43-78-44-45-79-46-47-80-49-62(84-85(82-41-16-38-71)73(52(3)4)53(5)6)50-81-70(55-20-13-12-14-21-55,56-22-27-59(75-10)28-23-56)57-24-29-60(76-11)30-25-57/h12-14,20-30,51-54,61-66H,15-19,31-37,39-50H2,1-11H3,(H,72,74)/t54-,61+,62?,63+,64-,65+,66+,68+,69-,85?/m1/s1
InChIKey
FNJSTUYYFCEZCA-PORNTWEGSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl-TEG Phosphoramidite
CAS: 873435-29-1
CID: 78319523
Formula: C70H106N3O11P
MW: 1196.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1196.6
XLogP314.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count38
Exact Mass1195.75649820
Monoisotopic Mass1195.75649820
Topological Polar Surface Area148 Ų
Heavy Atom Count85
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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