[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate

C158H200F3N15O29Si — CID 167541463

IUPAC[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate
SMILESC#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
InChIInChI=1S/C70H84FN5O10Si.C54H66FN5O10.C34H50FN5O9/c1-8-11-13-15-17-31-41-61(77)81-48-56(49-82-62(78)42-32-18-16-14-12-9-2)84-67(79)85-59-47-60(86-69(59,10-3)50-83-87(68(4,5)6,57-37-27-21-28-38-57)58-39-29-22-30-40-58)76-51-72-63-64(73-66(71)74-65(63)76)75-70(52-33-23-19-24-34-52,53-35-25-20-26-36-53)54-43-45-55(80-7)46-44-54;1-5-8-10-12-14-22-28-46(62)66-35-43(36-67-47(63)29-23-15-13-11-9-6-2)68-52(64)69-44-34-45(70-53(44,7-3)37-61)60-38-56-48-49(57-51(55)58-50(48)60)59-54(39-24-18-16-19-25-39,40-26-20-17-21-27-40)41-30-32-42(65-4)33-31-41;1-4-7-9-11-13-15-17-27(42)45-20-24(21-46-28(43)18-16-14-12-10-8-5-2)47-33(44)48-25-19-26(49-34(25,6-3)22-41)40-23-37-29-30(36)38-32(35)39-31(29)40/h3,19-30,33-40,43-46,51,56,59-60H,8-9,11-18,31-32,41-42,47-50H2,1-2,4-7H3,(H,73,74,75);3,16-21,24-27,30-33,38,43-45,61H,5-6,8-15,22-23,28-29,34-37H2,1-2,4H3,(H,57,58,59);3,23-26,41H,4-5,7-22H2,1-2H3,(H2,36,38,39)/t59-,60+,69+;44-,45+,53+;25-,26+,34+/m000/s1
InChIKeyBGCIUFIOBLIKAT-KRTCXSEISA-N
MW2858.49 g/mol
LogP29.17
Rot. Bonds82

About [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate

[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate (PubChem CID 167541463) has the molecular formula C158H200F3N15O29Si and a molecular weight of 2858.49 g/mol. Its IUPAC name is [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate.

Molecular Properties

Compound Name[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate
PubChem CID167541463
Molecular FormulaC158H200F3N15O29Si
Molecular Weight2858.49 g/mol
Exact Mass2856.44
IUPAC Name[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate
SMILESC#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
InChIInChI=1S/C70H84FN5O10Si.C54H66FN5O10.C34H50FN5O9/c1-8-11-13-15-17-31-41-61(77)81-48-56(49-82-62(78)42-32-18-16-14-12-9-2)84-67(79)85-59-47-60(86-69(59,10-3)50-83-87(68(4,5)6,57-37-27-21-28-38-57)58-39-29-22-30-40-58)76-51-72-63-64(73-66(71)74-65(63)76)75-70(52-33-23-19-24-34-52,53-35-25-20-26-36-53)54-43-45-55(80-7)46-44-54;1-5-8-10-12-14-22-28-46(62)66-35-43(36-67-47(63)29-23-15-13-11-9-6-2)68-52(64)69-44-34-45(70-53(44,7-3)37-61)60-38-56-48-49(57-51(55)58-50(48)60)59-54(39-24-18-16-19-25-39,40-26-20-17-21-27-40)41-30-32-42(65-4)33-31-41;1-4-7-9-11-13-15-17-27(42)45-20-24(21-46-28(43)18-16-14-12-10-8-5-2)47-33(44)48-25-19-26(49-34(25,6-3)22-41)40-23-37-29-30(36)38-32(35)39-31(29)40/h3,19-30,33-40,43-46,51,56,59-60H,8-9,11-18,31-32,41-42,47-50H2,1-2,4-7H3,(H,73,74,75);3,16-21,24-27,30-33,38,43-45,61H,5-6,8-15,22-23,28-29,34-37H2,1-2,4H3,(H,57,58,59);3,23-26,41H,4-5,7-22H2,1-2H3,(H2,36,38,39)/t59-,60+,69+;44-,45+,53+;25-,26+,34+/m000/s1
InChIKeyBGCIUFIOBLIKAT-KRTCXSEISA-N
XLogP29.17
TPSA541.11 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds82
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002858.49
LogP ≤ 529.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate with MolForge

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Related Compounds

[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] nonadecyl carbonate
CID 151490099
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl] 2-(heptanoylamino)acetate
CID 155779400
[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-3-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]methyl pentanoate
CID 155685015
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-ol;9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethynyloxolan-2-yl]-2-fluoropurin-6-amine;N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethynyloxolan-2-yl]-2-fluoropurin-6-yl]tetradecanamide;bis(N-[9-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoropurin-6-yl]tetradecanamide);tetradecanoyl chloride
CID 158728230
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-dodecanoyloxy-2-ethynyloxolan-2-yl]methyl dodecanoate
CID 155685116
[5-(6-amino-2-fluoropurin-9-yl)-3-dodecanoyloxy-2-ethynyloxolan-2-yl]methyl dodecanoate
CID 175210364
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-decanoyloxy-2-ethynyloxolan-2-yl]methyl decanoate
CID 155685157
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hexadecanoyloxyoxolan-2-yl]methyl hexadecanoate
CID 155685198
[2-[[9-[(2R,4S,5R)-4-acetyloxy-5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-2-fluoropurin-6-yl]carbamoyloxy]-3-nonoxypropyl] nonanoate
CID 156644132
[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-3-hydroxyoxolan-2-yl]methyl 2-propylpentanoate
CID 166508179
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-propanoyloxyoxolan-2-yl]methyl pentanoate
CID 155685084
2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyloxolan-3-yl]ethyl hydrogen carbonate
CID 163406088

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate?
The IUPAC name of [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate (CID 167541463) is [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate.
What is the SMILES notation for [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate?
The canonical SMILES for [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate is C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.C#C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc(F)nc32)C[C@@H]1OC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC.
What is the InChIKey of [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate?
The InChIKey is BGCIUFIOBLIKAT-KRTCXSEISA-N. The full InChI is InChI=1S/C70H84FN5O10Si.C54H66FN5O10.C34H50FN5O9/c1-8-11-13-15-17-31-41-61(77)81-48-56(49-82-62(78)42-32-18-16-14-12-9-2)84-67(79)85-59-47-60(86-69(59,10-3)50-83-87(68(4,5)6,57-37-27-21-28-38-57)58-39-29-22-30-40-58)76-51-72-63-64(73-66(71)74-65(63)76)75-70(52-33-23-19-24-34-52,53-35-25-20-26-36-53)54-43-45-55(80-7)46-44-54;1-5-8-10-12-14-22-28-46(62)66-35-43(36-67-47(63)29-23-15-13-11-9-6-2)68-52(64)69-44-34-45(70-53(44,7-3)37-61)60-38-56-48-49(57-51(55)58-50(48)60)59-54(39-24-18-16-19-25-39,40-26-20-17-21-27-40)41-30-32-42(65-4)33-31-41;1-4-7-9-11-13-15-17-27(42)45-20-24(21-46-28(43)18-16-14-12-10-8-5-2)47-33(44)48-25-19-26(49-34(25,6-3)22-41)40-23-37-29-30(36)38-32(35)39-31(29)40/h3,19-30,33-40,43-46,51,56,59-60H,8-9,11-18,31-32,41-42,47-50H2,1-2,4-7H3,(H,73,74,75);3,16-21,24-27,30-33,38,43-45,61H,5-6,8-15,22-23,28-29,34-37H2,1-2,4H3,(H,57,58,59);3,23-26,41H,4-5,7-22H2,1-2H3,(H2,36,38,39)/t59-,60+,69+;44-,45+,53+;25-,26+,34+/m000/s1.
What are the key properties of [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate?
[2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate has a molecular weight of 2858.49 g/mol, XLogP of 29.17, 82 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate;[2-[(2R,3S,5R)-2-ethynyl-5-[2-fluoro-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]oxycarbonyloxy-3-nonanoyloxypropyl] nonanoate is sourced from PubChem (CID 167541463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).