1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C15H25N3O6Si — CID 10571270

IUPAC1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1/C(=N/O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N3O6Si/c1-15(2,3)25(4,5)24-12-11(17-22)9(8-19)23-13(12)18-7-6-10(20)16-14(18)21/h6-7,9,12-13,19,22H,8H2,1-5H3,(H,16,20,21)/b17-11+/t9-,12-,13-/m1/s1
InChIKeyXWFQETWCDVUETI-PHDFCQBGSA-N
MW371.47 g/mol
LogP0.65
Rot. Bonds4

About 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 10571270) has the molecular formula C15H25N3O6Si and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID10571270
Molecular FormulaC15H25N3O6Si
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1/C(=N/O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N3O6Si/c1-15(2,3)25(4,5)24-12-11(17-22)9(8-19)23-13(12)18-7-6-10(20)16-14(18)21/h6-7,9,12-13,19,22H,8H2,1-5H3,(H,16,20,21)/b17-11+/t9-,12-,13-/m1/s1
InChIKeyXWFQETWCDVUETI-PHDFCQBGSA-N
XLogP0.65
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57337248
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]acetonitrile
CID 5469825
1-[(2R,3R,4Z,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidine-2,4-dione
CID 102453062
2-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]acetic acid
CID 10525035
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 157163438
1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;tritiomethane
CID 159009443
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 58013896
1-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 101236673
1-[(2R,5R)-3-(1-bicyclo[1.1.1]pentanyl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 155936915
1-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10719208
1-[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169068521

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 10571270) is 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)O[C@@H]1/C(=N/O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XWFQETWCDVUETI-PHDFCQBGSA-N. The full InChI is InChI=1S/C15H25N3O6Si/c1-15(2,3)25(4,5)24-12-11(17-22)9(8-19)23-13(12)18-7-6-10(20)16-14(18)21/h6-7,9,12-13,19,22H,8H2,1-5H3,(H,16,20,21)/b17-11+/t9-,12-,13-/m1/s1.
What are the key properties of 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 371.47 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10571270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).