1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C24H42F2N2O5Si2 — CID 174060783

IUPAC1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C2CC2)C[C@@H](F)[C@@](O[Si](C)(C)C(C)(C)C)(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C24H42F2N2O5Si2/c1-21(2,3)34(7,8)31-15-23(16-11-12-16)13-18(26)24(32-23,33-35(9,10)22(4,5)6)28-14-17(25)19(29)27-20(28)30/h14,16,18H,11-13,15H2,1-10H3,(H,27,29,30)/t18-,23+,24-/m1/s1
InChIKeyZVZVJWQTITZXFJ-PUZWTLIVSA-N
MW532.78 g/mol
LogP5.24
Rot. Bonds7

About 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione

1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 174060783) has the molecular formula C24H42F2N2O5Si2 and a molecular weight of 532.78 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID174060783
Molecular FormulaC24H42F2N2O5Si2
Molecular Weight532.78 g/mol
Exact Mass532.26
IUPAC Name1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C2CC2)C[C@@H](F)[C@@](O[Si](C)(C)C(C)(C)C)(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C24H42F2N2O5Si2/c1-21(2,3)34(7,8)31-15-23(16-11-12-16)13-18(26)24(32-23,33-35(9,10)22(4,5)6)28-14-17(25)19(29)27-20(28)30/h14,16,18H,11-13,15H2,1-10H3,(H,27,29,30)/t18-,23+,24-/m1/s1
InChIKeyZVZVJWQTITZXFJ-PUZWTLIVSA-N
XLogP5.24
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.78
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 174060783) is 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OC[C@]1(C2CC2)C[C@@H](F)[C@@](O[Si](C)(C)C(C)(C)C)(n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZVZVJWQTITZXFJ-PUZWTLIVSA-N. The full InChI is InChI=1S/C24H42F2N2O5Si2/c1-21(2,3)34(7,8)31-15-23(16-11-12-16)13-18(26)24(32-23,33-35(9,10)22(4,5)6)28-14-17(25)19(29)27-20(28)30/h14,16,18H,11-13,15H2,1-10H3,(H,27,29,30)/t18-,23+,24-/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 532.78 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 174060783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).