1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

C9H14N2O5 — CID 130324362

IUPAC1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN([C@@H]2O[C@H](CO)C[C@@H]2O)C(=O)N1
InChIInChI=1S/C9H14N2O5/c12-4-5-3-6(13)8(16-5)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
InChIKeyHNHKSEXNXFAXFZ-VMHSAVOQSA-N
MW230.22 g/mol
LogP-1.60
Rot. Bonds2

About 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 130324362) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
PubChem CID130324362
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN([C@@H]2O[C@H](CO)C[C@@H]2O)C(=O)N1
InChIInChI=1S/C9H14N2O5/c12-4-5-3-6(13)8(16-5)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
InChIKeyHNHKSEXNXFAXFZ-VMHSAVOQSA-N
XLogP-1.60
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione (CID 130324362) is 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione is O=C1CCN([C@@H]2O[C@H](CO)C[C@@H]2O)C(=O)N1.
What is the InChIKey of 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HNHKSEXNXFAXFZ-VMHSAVOQSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-4-5-3-6(13)8(16-5)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1.
What are the key properties of 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione?
1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 130324362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).