[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

C109H171ClN16O30P2Si2 — CID 158105516

IUPAC[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(Cl)OCCC#N.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CC)O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C51H80N6O15Si2.C49H73N8O14P.C9H18ClN2OP/c1-13-39-44(68-37(12)59)43(67-36(11)58)35(10)51(70-39)64-23-18-17-21-41(60)52-22-24-62-25-26-63-30-65-46-45-40(27-66-73(31(2)3,32(4)5)72-74(71-45,33(6)7)34(8)9)69-50(46)57-29-55-42-47(53-28-54-48(42)57)56-49(61)38-19-15-14-16-20-38;1-10-37-42(68-35(9)59)41(67-34(8)58)33(7)49(70-37)64-23-16-15-20-39(60)51-22-25-62-26-27-63-30-65-44-43(71-72(66-24-17-21-50)57(31(3)4)32(5)6)38(11-2)69-48(44)56-29-54-40-45(52-28-53-46(40)56)55-47(61)36-18-13-12-14-19-36;1-8(2)12(9(3)4)14(10)13-7-5-6-11/h14-16,19-20,28-29,31-35,39-40,43-46,50-51H,13,17-18,21-27,30H2,1-12H3,(H,52,60)(H,53,54,56,61);12-14,18-19,28-29,31-33,37-38,41-44,48-49H,10-11,15-17,20,22-27,30H2,1-9H3,(H,51,60)(H,52,53,55,61);8-9H,5,7H2,1-4H3/t35?,39?,40-,43?,44?,45-,46-,50-,51?;33?,37?,38-,41?,42?,43-,44-,48-,49?,72?;/m11./s1
InChIKeyFPTXGNUQHUSYMS-PGTKJFFFSA-N
MW2339.22 g/mol
LogP17.11
Rot. Bonds61

About [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (PubChem CID 158105516) has the molecular formula C109H171ClN16O30P2Si2 and a molecular weight of 2339.22 g/mol. Its IUPAC name is [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
PubChem CID158105516
Molecular FormulaC109H171ClN16O30P2Si2
Molecular Weight2339.22 g/mol
Exact Mass2337.10
IUPAC Name[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
SMILESCC(C)N(C(C)C)P(Cl)OCCC#N.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CC)O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C51H80N6O15Si2.C49H73N8O14P.C9H18ClN2OP/c1-13-39-44(68-37(12)59)43(67-36(11)58)35(10)51(70-39)64-23-18-17-21-41(60)52-22-24-62-25-26-63-30-65-46-45-40(27-66-73(31(2)3,32(4)5)72-74(71-45,33(6)7)34(8)9)69-50(46)57-29-55-42-47(53-28-54-48(42)57)56-49(61)38-19-15-14-16-20-38;1-10-37-42(68-35(9)59)41(67-34(8)58)33(7)49(70-37)64-23-16-15-20-39(60)51-22-25-62-26-27-63-30-65-44-43(71-72(66-24-17-21-50)57(31(3)4)32(5)6)38(11-2)69-48(44)56-29-54-40-45(52-28-53-46(40)56)55-47(61)36-18-13-12-14-19-36;1-8(2)12(9(3)4)14(10)13-7-5-6-11/h14-16,19-20,28-29,31-35,39-40,43-46,50-51H,13,17-18,21-27,30H2,1-12H3,(H,52,60)(H,53,54,56,61);12-14,18-19,28-29,31-33,37-38,41-44,48-49H,10-11,15-17,20,22-27,30H2,1-9H3,(H,51,60)(H,52,53,55,61);8-9H,5,7H2,1-4H3/t35?,39?,40-,43?,44?,45-,46-,50-,51?;33?,37?,38-,41?,42?,43-,44-,48-,49?,72?;/m11./s1
InChIKeyFPTXGNUQHUSYMS-PGTKJFFFSA-N
XLogP17.11
TPSA529.00 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds61
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002339.22
LogP ≤ 517.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile with MolForge

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Related Compounds

[6-[8-[2-[[(6aR,8R,9S)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]-5-oxooctoxy]-3-acetyloxy-4,5-dimethyloxan-2-yl]methyl acetate
CID 167634677
[6-[8-[2-[[(6aR,8R,9S)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]-5-oxooctoxy]-2-ethyl-4,5-dimethyloxan-3-yl] acetate;[6-[8-[2-[[(6aR,8R,9S)-8-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]-5-oxooctoxy]-2-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 167651523
[(2R,3R,6S)-6-[4-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-4-oxobutoxy]-4,5-dibenzoyloxy-2-[[2-cyanoethoxy(2-isocyanoethoxy)phosphoryl]oxymethyl]oxan-3-yl] benzoate
CID 153317737
N-[9-[(6aR,8R,9aS)-9-[2-(2-aminoethoxy)ethoxymethoxy]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 169041988
9H-fluoren-9-ylmethyl N-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethyl]carbamate
CID 156645981
N-[9-[(2R,3S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[2-oxo-2-[(5,5,5-trifluoro-4-oxopentyl)amino]ethoxy]-5-(3-tritiooxypropyl)oxolan-2-yl]purin-6-yl]benzamide
CID 158673355
N-[9-[(2R,3S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(hydroxymethyl)-3-[2-oxo-2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethoxy]oxolan-2-yl]purin-6-yl]benzamide
CID 118653414
N-[9-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(1,1-dideuterioethyl)-3-(trideuteriomethoxy)oxolan-2-yl]purin-6-yl]benzamide
CID 158943494
N-[9-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(methanesulfonamidomethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 156513881
N-[9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 11169469
N-[9-[(6aR,8R,9R,9aR)-9-(azidomethoxy)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 15476717
N-[9-[(6aR,8R,9R,9aS)-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-yl]benzamide
CID 53356168

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The IUPAC name of [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (CID 158105516) is [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.
What is the SMILES notation for [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The canonical SMILES for [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is CC(C)N(C(C)C)P(Cl)OCCC#N.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O.CCC1OC(OCCCCC(=O)NCCOCCOCO[C@@H]2[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CC)O[C@H]2n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(C)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The InChIKey is FPTXGNUQHUSYMS-PGTKJFFFSA-N. The full InChI is InChI=1S/C51H80N6O15Si2.C49H73N8O14P.C9H18ClN2OP/c1-13-39-44(68-37(12)59)43(67-36(11)58)35(10)51(70-39)64-23-18-17-21-41(60)52-22-24-62-25-26-63-30-65-46-45-40(27-66-73(31(2)3,32(4)5)72-74(71-45,33(6)7)34(8)9)69-50(46)57-29-55-42-47(53-28-54-48(42)57)56-49(61)38-19-15-14-16-20-38;1-10-37-42(68-35(9)59)41(67-34(8)58)33(7)49(70-37)64-23-16-15-20-39(60)51-22-25-62-26-27-63-30-65-44-43(71-72(66-24-17-21-50)57(31(3)4)32(5)6)38(11-2)69-48(44)56-29-54-40-45(52-28-53-46(40)56)55-47(61)36-18-13-12-14-19-36;1-8(2)12(9(3)4)14(10)13-7-5-6-11/h14-16,19-20,28-29,31-35,39-40,43-46,50-51H,13,17-18,21-27,30H2,1-12H3,(H,52,60)(H,53,54,56,61);12-14,18-19,28-29,31-33,37-38,41-44,48-49H,10-11,15-17,20,22-27,30H2,1-9H3,(H,51,60)(H,52,53,55,61);8-9H,5,7H2,1-4H3/t35?,39?,40-,43?,44?,45-,46-,50-,51?;33?,37?,38-,41?,42?,43-,44-,48-,49?,72?;/m11./s1.
What are the key properties of [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
[2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile has a molecular weight of 2339.22 g/mol, XLogP of 17.11, 61 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-[2-[[(6aR,8R,9R,9aR)-8-(6-benzamidopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-5-acetyloxy-6-ethyl-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-[5-[2-[2-[[(2R,3R,4R,5R)-2-(6-benzamidopurin-9-yl)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyloxolan-3-yl]oxymethoxy]ethoxy]ethylamino]-5-oxopentoxy]-6-ethyl-3-methyloxan-4-yl] acetate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is sourced from PubChem (CID 158105516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).