5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate

C135H174N12O34S4Si3 — CID 163653375

IUPAC5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate
SMILESCC(=O)CCOC1C[C@H](n2cc(C#CCN)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53N3O10S2Si.C37H47N3O8Si.C32H39N3O6Si.C25H35N3O10S2/c1-29(45)20-22-50-33-25-35(53-34(33)27-52-57(41(5,6)7,31-16-10-8-11-17-31)32-18-12-9-13-19-32)44-26-30(37(47)43-38(44)48)15-14-21-42-39(49)51-23-24-55-56-28-36(46)54-40(2,3)4;1-26(41)20-22-45-30-23-32(40-24-27(33(42)39-34(40)43)15-14-21-38-35(44)48-36(2,3)4)47-31(30)25-46-49(37(5,6)7,28-16-10-8-11-17-28)29-18-12-9-13-19-29;1-23(36)17-19-39-27-20-29(35-21-24(12-11-18-33)30(37)34-31(35)38)41-28(27)22-40-42(32(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26;1-16(30)7-9-35-18-12-20(37-19(18)14-29)28-13-17(22(32)27-23(28)33)6-5-8-26-24(34)36-10-11-39-40-15-21(31)38-25(2,3)4/h8-13,16-19,26,33-35H,20-25,27-28H2,1-7H3,(H,42,49)(H,43,47,48);8-13,16-19,24,30-32H,20-23,25H2,1-7H3,(H,38,44)(H,39,42,43);5-10,13-16,21,27-29H,17-20,22,33H2,1-4H3,(H,34,37,38);13,18-20,29H,7-12,14-15H2,1-4H3,(H,26,34)(H,27,32,33)/t33?,34-,35-;30?,31-,32-;27?,28-,29-;18?,19-,20-/m1111/s1
InChIKeyIOCUXFLUVKANEQ-KOGGVMBQSA-N
MW2721.45 g/mol
LogP11.26
Rot. Bonds51

About 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate

5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate (PubChem CID 163653375) has the molecular formula C135H174N12O34S4Si3 and a molecular weight of 2721.45 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate
PubChem CID163653375
Molecular FormulaC135H174N12O34S4Si3
Molecular Weight2721.45 g/mol
Exact Mass2719.04
IUPAC Name5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate
SMILESCC(=O)CCOC1C[C@H](n2cc(C#CCN)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H53N3O10S2Si.C37H47N3O8Si.C32H39N3O6Si.C25H35N3O10S2/c1-29(45)20-22-50-33-25-35(53-34(33)27-52-57(41(5,6)7,31-16-10-8-11-17-31)32-18-12-9-13-19-32)44-26-30(37(47)43-38(44)48)15-14-21-42-39(49)51-23-24-55-56-28-36(46)54-40(2,3)4;1-26(41)20-22-45-30-23-32(40-24-27(33(42)39-34(40)43)15-14-21-38-35(44)48-36(2,3)4)47-31(30)25-46-49(37(5,6)7,28-16-10-8-11-17-28)29-18-12-9-13-19-29;1-23(36)17-19-39-27-20-29(35-21-24(12-11-18-33)30(37)34-31(35)38)41-28(27)22-40-42(32(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26;1-16(30)7-9-35-18-12-20(37-19(18)14-29)28-13-17(22(32)27-23(28)33)6-5-8-26-24(34)36-10-11-39-40-15-21(31)38-25(2,3)4/h8-13,16-19,26,33-35H,20-25,27-28H2,1-7H3,(H,42,49)(H,43,47,48);8-13,16-19,24,30-32H,20-23,25H2,1-7H3,(H,38,44)(H,39,42,43);5-10,13-16,21,27-29H,17-20,22,33H2,1-4H3,(H,34,37,38);13,18-20,29H,7-12,14-15H2,1-4H3,(H,26,34)(H,27,32,33)/t33?,34-,35-;30?,31-,32-;27?,28-,29-;18?,19-,20-/m1111/s1
InChIKeyIOCUXFLUVKANEQ-KOGGVMBQSA-N
XLogP11.26
TPSA603.09 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds51
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.45
LogP ≤ 511.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate
CID 163598230
N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,2-dimethylpropylsulfanylmethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methylsulfanylmethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[1-[(2R,5R)-4-(2,2-dimethylpropylsulfanylmethoxy)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 160764413
2-[2-acetyloxy-1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(5-but-1-ynyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyethyl]sulfanylethyl acetate
CID 157098373
N-[3-[1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 155631232
[(2R,3S,5R)-5-[5-(3-aminoprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 2,2-dimethylpropanoate;bis(2,2,2-trifluoroacetic acid)
CID 121333214
1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;deuterioethane
CID 158715175
2-amino-7-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-(5-oxohex-1-ynyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 157461163
S-[2-bromo-1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyethyl] ethanethioate
CID 176850640
N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide
CID 102403764
ditert-butyl 2-[5-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pent-4-ynoylamino]butanedioate
CID 118488815
N-[3-[1-[(2R,4S,5R)-4-(azidomethoxy)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 86613610
5-[3-(benzylamino)oxyprop-1-ynyl]-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59336560

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate (CID 163653375) is 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate is CC(=O)CCOC1C[C@H](n2cc(C#CCN)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO.CC(=O)CCOC1C[C@H](n2cc(C#CCNC(=O)OCCSSCC(=O)OC(C)(C)C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate?
The InChIKey is IOCUXFLUVKANEQ-KOGGVMBQSA-N. The full InChI is InChI=1S/C41H53N3O10S2Si.C37H47N3O8Si.C32H39N3O6Si.C25H35N3O10S2/c1-29(45)20-22-50-33-25-35(53-34(33)27-52-57(41(5,6)7,31-16-10-8-11-17-31)32-18-12-9-13-19-32)44-26-30(37(47)43-38(44)48)15-14-21-42-39(49)51-23-24-55-56-28-36(46)54-40(2,3)4;1-26(41)20-22-45-30-23-32(40-24-27(33(42)39-34(40)43)15-14-21-38-35(44)48-36(2,3)4)47-31(30)25-46-49(37(5,6)7,28-16-10-8-11-17-28)29-18-12-9-13-19-29;1-23(36)17-19-39-27-20-29(35-21-24(12-11-18-33)30(37)34-31(35)38)41-28(27)22-40-42(32(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26;1-16(30)7-9-35-18-12-20(37-19(18)14-29)28-13-17(22(32)27-23(28)33)6-5-8-26-24(34)36-10-11-39-40-15-21(31)38-25(2,3)4/h8-13,16-19,26,33-35H,20-25,27-28H2,1-7H3,(H,42,49)(H,43,47,48);8-13,16-19,24,30-32H,20-23,25H2,1-7H3,(H,38,44)(H,39,42,43);5-10,13-16,21,27-29H,17-20,22,33H2,1-4H3,(H,34,37,38);13,18-20,29H,7-12,14-15H2,1-4H3,(H,26,34)(H,27,32,33)/t33?,34-,35-;30?,31-,32-;27?,28-,29-;18?,19-,20-/m1111/s1.
What are the key properties of 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate?
5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate has a molecular weight of 2721.45 g/mol, XLogP of 11.26, 51 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]pyrimidine-2,4-dione;tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate;tert-butyl 2-[2-[3-[1-[(2R,5R)-5-(hydroxymethyl)-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethyldisulfanyl]acetate is sourced from PubChem (CID 163653375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).