1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

C11H18N2O6 — CID 129012630

IUPAC1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESC[C@@H](O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C11H18N2O6/c1-5(14)7-8(16)11(2,18)9(19-7)13-4-3-6(15)12-10(13)17/h5,7-9,14,16,18H,3-4H2,1-2H3,(H,12,15,17)/t5-,7-,8-,9-,11-/m1/s1
InChIKeyXKHGNSFXVOMALB-DCEZOGAWSA-N
MW274.27 g/mol
LogP-1.85
Rot. Bonds2

About 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 129012630) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
PubChem CID129012630
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESC[C@@H](O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(O)[C@@H]1O
InChIInChI=1S/C11H18N2O6/c1-5(14)7-8(16)11(2,18)9(19-7)13-4-3-6(15)12-10(13)17/h5,7-9,14,16,18H,3-4H2,1-2H3,(H,12,15,17)/t5-,7-,8-,9-,11-/m1/s1
InChIKeyXKHGNSFXVOMALB-DCEZOGAWSA-N
XLogP-1.85
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione (CID 129012630) is 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is C[C@@H](O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@](C)(O)[C@@H]1O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is XKHGNSFXVOMALB-DCEZOGAWSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-5(14)7-8(16)11(2,18)9(19-7)13-4-3-6(15)12-10(13)17/h5,7-9,14,16,18H,3-4H2,1-2H3,(H,12,15,17)/t5-,7-,8-,9-,11-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione?
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 274.27 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 129012630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).