(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C17H27N3O13 — CID 122220747

About (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 122220747) has the molecular formula C17H27N3O13 and a molecular weight of 481.41 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 122220747
• Molecular Formula: C17H27N3O13
• Molecular Weight: 481.41 g/mol
• Exact Mass: 481.15
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: COc1nc(OC)nc(O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)n1
• InChI: InChI=1S/C17H27N3O13/c1-28-15-18-16(29-2)20-17(19-15)33-14-12(27)10(25)8(23)6(32-14)4-30-13-11(26)9(24)7(22)5(3-21)31-13/h5-14,21-27H,3-4H2,1-2H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+/m1/s1
• InChIKey: DXZKIIQJDAPISX-NCQMRFDCSA-N
• XLogP: -5.11
• TPSA: 235.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	481.41
LogP ≤ 5	-5.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 122220747) is (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is COc1nc(OC)nc(O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)n1.

What is the InChIKey of (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is DXZKIIQJDAPISX-NCQMRFDCSA-N. The full InChI is InChI=1S/C17H27N3O13/c1-28-15-18-16(29-2)20-17(19-15)33-14-12(27)10(25)8(23)6(32-14)4-30-13-11(26)9(24)7(22)5(3-21)31-13/h5-14,21-27H,3-4H2,1-2H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+/m1/s1.

What are the key properties of (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 481.41 g/mol, XLogP of -5.11, 8 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 122220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).