1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

C26H33FN2O5Si — CID 138059438

IUPAC1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(F)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33FN2O5Si/c1-25(2,3)35(18-11-7-5-8-12-18,19-13-9-6-10-14-19)33-17-20-22(31)26(4,27)23(34-20)29-16-15-21(30)28-24(29)32/h5-14,20,22-23,31H,15-17H2,1-4H3,(H,28,30,32)/t20-,22-,23-,26-/m1/s1
InChIKeyQYAJCKAAAXSYAR-HUBRGWSESA-N
MW500.64 g/mol
LogP2.32
Rot. Bonds6

About 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 138059438) has the molecular formula C26H33FN2O5Si and a molecular weight of 500.64 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
PubChem CID138059438
Molecular FormulaC26H33FN2O5Si
Molecular Weight500.64 g/mol
Exact Mass500.21
IUPAC Name1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(F)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33FN2O5Si/c1-25(2,3)35(18-11-7-5-8-12-18,19-13-9-6-10-14-19)33-17-20-22(31)26(4,27)23(34-20)29-16-15-21(30)28-24(29)32/h5-14,20,22-23,31H,15-17H2,1-4H3,(H,28,30,32)/t20-,22-,23-,26-/m1/s1
InChIKeyQYAJCKAAAXSYAR-HUBRGWSESA-N
XLogP2.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (CID 138059438) is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is CC(C)(C)[Si](OC[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(F)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QYAJCKAAAXSYAR-HUBRGWSESA-N. The full InChI is InChI=1S/C26H33FN2O5Si/c1-25(2,3)35(18-11-7-5-8-12-18,19-13-9-6-10-14-19)33-17-20-22(31)26(4,27)23(34-20)29-16-15-21(30)28-24(29)32/h5-14,20,22-23,31H,15-17H2,1-4H3,(H,28,30,32)/t20-,22-,23-,26-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 500.64 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138059438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).