(3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol

C15H26O13 — CID 102024655

About (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol

(3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 102024655) has the molecular formula C15H26O13 and a molecular weight of 414.36 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

• Compound Name: (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• PubChem CID: 102024655
• Molecular Formula: C15H26O13
• Molecular Weight: 414.36 g/mol
• Exact Mass: 414.14
• IUPAC Name: (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• SMILES: OC[C@@H]1O[C@@H](O[C@H]2[C@H](OC3COC(O)[C@H](O)[C@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C15H26O13/c16-1-5-8(19)11(22)14(26-5)28-12-7(18)4(17)2-25-15(12)27-6-3-24-13(23)10(21)9(6)20/h4-23H,1-3H2/t4-,5+,6?,7+,8+,9+,10-,11-,12-,13?,14+,15+/m1/s1
• InChIKey: CHXXNOXMLZFYMC-CYUKQYEASA-N
• XLogP: -5.66
• TPSA: 207.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	414.36
LogP ≤ 5	-5.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The IUPAC name of (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (CID 102024655) is (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

What is the SMILES notation for (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The canonical SMILES for (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol is OC[C@@H]1O[C@@H](O[C@H]2[C@H](OC3COC(O)[C@H](O)[C@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The InChIKey is CHXXNOXMLZFYMC-CYUKQYEASA-N. The full InChI is InChI=1S/C15H26O13/c16-1-5-8(19)11(22)14(26-5)28-12-7(18)4(17)2-25-15(12)27-6-3-24-13(23)10(21)9(6)20/h4-23H,1-3H2/t4-,5+,6?,7+,8+,9+,10-,11-,12-,13?,14+,15+/m1/s1.

What are the key properties of (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

(3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 414.36 g/mol, XLogP of -5.66, 5 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5R)-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 102024655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).