1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one

C10H15F3N2O6 — CID 54303397

IUPAC1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(O)C(C(F)(F)F)CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H15F3N2O6/c11-10(12,13)3-1-15(9(20)14-7(3)19)8-6(18)5(17)4(2-16)21-8/h3-8,16-19H,1-2H2,(H,14,20)/t3?,4-,5-,6+,7?,8-/m1/s1
InChIKeySFUSJMIFEDRMDK-WIXBURMVSA-N
MW316.23 g/mol
LogP-2.05
Rot. Bonds2

About 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one

1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 54303397) has the molecular formula C10H15F3N2O6 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID54303397
Molecular FormulaC10H15F3N2O6
Molecular Weight316.23 g/mol
Exact Mass316.09
IUPAC Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(O)C(C(F)(F)F)CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H15F3N2O6/c11-10(12,13)3-1-15(9(20)14-7(3)19)8-6(18)5(17)4(2-16)21-8/h3-8,16-19H,1-2H2,(H,14,20)/t3?,4-,5-,6+,7?,8-/m1/s1
InChIKeySFUSJMIFEDRMDK-WIXBURMVSA-N
XLogP-2.05
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one;dihydrate
CID 146673023
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
1-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 171699340
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 72780510
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 122130033
5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 45074628
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
CID 46876343
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 59649572
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4,5-trione
CID 98575508
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione
CID 5273526
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 23263688
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-2,4-dione
CID 22214244

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one (CID 54303397) is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(O)C(C(F)(F)F)CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is SFUSJMIFEDRMDK-WIXBURMVSA-N. The full InChI is InChI=1S/C10H15F3N2O6/c11-10(12,13)3-1-15(9(20)14-7(3)19)8-6(18)5(17)4(2-16)21-8/h3-8,16-19H,1-2H2,(H,14,20)/t3?,4-,5-,6+,7?,8-/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one?
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 316.23 g/mol, XLogP of -2.05, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 54303397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).