2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C23H31N7O11 — CID 135274884

About 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 135274884) has the molecular formula C23H31N7O11 and a molecular weight of 581.54 g/mol. Its IUPAC name is 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 135274884
• Molecular Formula: C23H31N7O11
• Molecular Weight: 581.54 g/mol
• Exact Mass: 581.21
• IUPAC Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1OC(OC2C(CO)OC(OCCn3cc(-c4ccc(-c5nn[nH]n5)cc4)nn3)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C23H31N7O11/c31-8-13-15(33)16(34)18(36)23(39-13)41-20-14(9-32)40-22(19(37)17(20)35)38-6-5-30-7-12(24-29-30)10-1-3-11(4-2-10)21-25-27-28-26-21/h1-4,7,13-20,22-23,31-37H,5-6,8-9H2,(H,25,26,27,28)
• InChIKey: BZNGGHVZSFKDQO-UHFFFAOYSA-N
• XLogP: -4.23
• TPSA: 263.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	581.54
LogP ≤ 5	-4.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 135274884) is 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(OC2C(CO)OC(OCCn3cc(-c4ccc(-c5nn[nH]n5)cc4)nn3)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is BZNGGHVZSFKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O11/c31-8-13-15(33)16(34)18(36)23(39-13)41-20-14(9-32)40-22(19(37)17(20)35)38-6-5-30-7-12(24-29-30)10-1-3-11(4-2-10)21-25-27-28-26-21/h1-4,7,13-20,22-23,31-37H,5-6,8-9H2,(H,25,26,27,28).

What are the key properties of 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 581.54 g/mol, XLogP of -4.23, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[4-[4-(2H-tetrazol-5-yl)phenyl]triazol-1-yl]ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 135274884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).