6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione

C10H18N2O6S — CID 24845084

IUPAC6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione
SMILESOC[C@H]1O[C@@H](N2C(=S)NCCC2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6S/c13-3-4-6(15)7(16)8(17)9(18-4)12-5(14)1-2-11-10(12)19/h4-9,13-17H,1-3H2,(H,11,19)/t4-,5?,6+,7+,8-,9-/m1/s1
InChIKeyWUNLETPCGLIIRT-UCOFYAMCSA-N
MW294.33 g/mol
LogP-3.32
Rot. Bonds2

About 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione

6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione (PubChem CID 24845084) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione.

Molecular Properties

Compound Name6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione
PubChem CID24845084
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione
SMILESOC[C@H]1O[C@@H](N2C(=S)NCCC2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6S/c13-3-4-6(15)7(16)8(17)9(18-4)12-5(14)1-2-11-10(12)19/h4-9,13-17H,1-3H2,(H,11,19)/t4-,5?,6+,7+,8-,9-/m1/s1
InChIKeyWUNLETPCGLIIRT-UCOFYAMCSA-N
XLogP-3.32
TPSA125.65 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.33
LogP ≤ 5-3.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione?
The IUPAC name of 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione (CID 24845084) is 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione.
What is the SMILES notation for 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione?
The canonical SMILES for 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione is OC[C@H]1O[C@@H](N2C(=S)NCCC2O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione?
The InChIKey is WUNLETPCGLIIRT-UCOFYAMCSA-N. The full InChI is InChI=1S/C10H18N2O6S/c13-3-4-6(15)7(16)8(17)9(18-4)12-5(14)1-2-11-10(12)19/h4-9,13-17H,1-3H2,(H,11,19)/t4-,5?,6+,7+,8-,9-/m1/s1.
What are the key properties of 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione?
6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione has a molecular weight of 294.33 g/mol, XLogP of -3.32, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2-thione is sourced from PubChem (CID 24845084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).