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

C55H72N4O9Si2 — CID 158715175

IUPAC1-[(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
SMILESCC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.Cc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O.[2H]CC
InChIInChI=1S/C27H34N2O4Si.C26H32N2O5Si.C2H6/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2/h7-16,18,22-24H,6,17H2,1-5H3,(H,28,30,31);5-14,16,21-23,29H,15,17H2,1-4H3,(H,27,30,31);1-2H3/t22-,23?,24-;21?,22-,23-;/m11./s1/i;;1D
InChIKeyIJFJAIFEINPGAT-PDJVWSAGSA-N
MW990.38 g/mol
LogP6.58
Rot. Bonds12

About 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

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 (PubChem CID 158715175) has the molecular formula C55H72N4O9Si2 and a molecular weight of 990.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID158715175
Molecular FormulaC55H72N4O9Si2
Molecular Weight990.38 g/mol
Exact Mass989.49
IUPAC Name1-[(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
SMILESCC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.Cc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O.[2H]CC
InChIInChI=1S/C27H34N2O4Si.C26H32N2O5Si.C2H6/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2/h7-16,18,22-24H,6,17H2,1-5H3,(H,28,30,31);5-14,16,21-23,29H,15,17H2,1-4H3,(H,27,30,31);1-2H3/t22-,23?,24-;21?,22-,23-;/m11./s1/i;;1D
InChIKeyIJFJAIFEINPGAT-PDJVWSAGSA-N
XLogP6.58
TPSA166.87 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.38
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 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

1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57408004
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15101776
1-[(2R,4S,5R)-5-[[(2S,4aR,5R,7R,7aS)-7-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 24824030
[(S)-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 101004656
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
1-[(2R,4S,5R)-5-[(E,1S)-6-bromo-1-hydroxyhex-3-enyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15451457
1-[(2R,4S,5S)-5-[(1S)-1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10628391
1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(3,5-dimethyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11766595
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175861631
[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
CID 57137294
2-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyisoindole-1,3-dione
CID 22858648
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (1S,5R,7R,8R)-8-[tert-butyl(diphenyl)silyl]oxy-7-[3-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 101487867

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.Cc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O.[2H]CC.
What is the InChIKey of 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?
The InChIKey is IJFJAIFEINPGAT-PDJVWSAGSA-N. The full InChI is InChI=1S/C27H34N2O4Si.C26H32N2O5Si.C2H6/c1-6-22-23(17-24(32-22)29-18-19(2)25(30)28-26(29)31)33-34(27(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2/h7-16,18,22-24H,6,17H2,1-5H3,(H,28,30,31);5-14,16,21-23,29H,15,17H2,1-4H3,(H,27,30,31);1-2H3/t22-,23?,24-;21?,22-,23-;/m11./s1/i;;1D.
What are the key properties of 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?
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 has a molecular weight of 990.38 g/mol, XLogP of 6.58, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158715175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).