(3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol

C16H28O14 — CID 71298073

About (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol

(3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol (PubChem CID 71298073) has the molecular formula C16H28O14 and a molecular weight of 444.39 g/mol. Its IUPAC name is (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
• PubChem CID: 71298073
• Molecular Formula: C16H28O14
• Molecular Weight: 444.39 g/mol
• Exact Mass: 444.15
• IUPAC Name: (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
• SMILES: OC[C@H]1OC(O)[C@H](O)[C@@H](O[C@H]2OC[C@@H](O)[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C16H28O14/c17-1-6-8(21)13(10(23)14(25)28-6)30-16-11(24)12(5(19)3-27-16)29-15-9(22)7(20)4(18)2-26-15/h4-25H,1-3H2/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13+,14?,15-,16-/m1/s1
• InChIKey: BLASHPVRFCCALK-KZNZAYCGSA-N
• XLogP: -6.29
• TPSA: 228.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	444.39
LogP ≤ 5	-6.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol (CID 71298073) is (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol.

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

The canonical SMILES for (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol is OC[C@H]1OC(O)[C@H](O)[C@@H](O[C@H]2OC[C@@H](O)[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O.

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

The InChIKey is BLASHPVRFCCALK-KZNZAYCGSA-N. The full InChI is InChI=1S/C16H28O14/c17-1-6-8(21)13(10(23)14(25)28-6)30-16-11(24)12(5(19)3-27-16)29-15-9(22)7(20)4(18)2-26-15/h4-25H,1-3H2/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13+,14?,15-,16-/m1/s1.

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

(3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol has a molecular weight of 444.39 g/mol, XLogP of -6.29, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-4-[(2R,3R,4S,5R)-3,5-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol is sourced from PubChem (CID 71298073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).