(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C14H27NO11 — CID 67853351

About (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 67853351) has the molecular formula C14H27NO11 and a molecular weight of 385.37 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 67853351
• Molecular Formula: C14H27NO11
• Molecular Weight: 385.37 g/mol
• Exact Mass: 385.16
• IUPAC Name: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: NCCO[C@H]1[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C14H27NO11/c15-1-2-23-12-10(20)7(17)5(3-16)26-14(12)24-4-6-8(18)9(19)11(21)13(22)25-6/h5-14,16-22H,1-4,15H2/t5-,6-,7-,8-,9+,10+,11-,12-,13-,14-/m1/s1
• InChIKey: HYVZXVGXTXGKSR-LOUZWEESSA-N
• XLogP: -5.41
• TPSA: 204.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	385.37
LogP ≤ 5	-5.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The IUPAC name of (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 67853351) is (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The canonical SMILES for (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is NCCO[C@H]1[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The InChIKey is HYVZXVGXTXGKSR-LOUZWEESSA-N. The full InChI is InChI=1S/C14H27NO11/c15-1-2-23-12-10(20)7(17)5(3-16)26-14(12)24-4-6-8(18)9(19)11(21)13(22)25-6/h5-14,16-22H,1-4,15H2/t5-,6-,7-,8-,9+,10+,11-,12-,13-,14-/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 385.37 g/mol, XLogP of -5.41, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 67853351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).