acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C26H51NO24 — CID 131712763

About acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 131712763) has the molecular formula C26H51NO24 and a molecular weight of 761.68 g/mol. Its IUPAC name is acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 131712763
• Molecular Formula: C26H51NO24
• Molecular Weight: 761.68 g/mol
• Exact Mass: 761.28
• IUPAC Name: acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C12H23NO10.7C2H4O2/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12;7*1-2(3)4/h3-12,14-20H,1-2,13H2;7*1H3,(H,3,4)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;;;;;;;/m1......./s1
• InChIKey: UGPTXQCUWZMUCV-OANQEXLVSA-N
• XLogP: -4.79
• TPSA: 456.42 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.68
LogP ≤ 5	-4.79
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 131712763) is acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is UGPTXQCUWZMUCV-OANQEXLVSA-N. The full InChI is InChI=1S/C12H23NO10.7C2H4O2/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12;7*1-2(3)4/h3-12,14-20H,1-2,13H2;7*1H3,(H,3,4)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;;;;;;;/m1......./s1.

What are the key properties of acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 761.68 g/mol, XLogP of -4.79, 4 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 131712763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).