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

C13H25NO11 — CID 90276849

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

(2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 90276849) has the molecular formula C13H25NO11 and a molecular weight of 371.34 g/mol. Its IUPAC name is (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 90276849
• Molecular Formula: C13H25NO11
• Molecular Weight: 371.34 g/mol
• Exact Mass: 371.14
• IUPAC Name: (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C13H25NO11/c14-3-22-13-11(9(20)7(18)5(2-16)24-13)25-12-10(21)8(19)6(17)4(1-15)23-12/h4-13,15-21H,1-3,14H2/t4?,5?,6-,7-,8+,9+,10?,11?,12-,13+/m1/s1
• InChIKey: LFZBVSAIVNYIHM-PYHRHILDSA-N
• XLogP: -5.46
• TPSA: 204.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	371.34
LogP ≤ 5	-5.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 90276849) is (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is NCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.

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

The InChIKey is LFZBVSAIVNYIHM-PYHRHILDSA-N. The full InChI is InChI=1S/C13H25NO11/c14-3-22-13-11(9(20)7(18)5(2-16)24-13)25-12-10(21)8(19)6(17)4(1-15)23-12/h4-13,15-21H,1-3,14H2/t4?,5?,6-,7-,8+,9+,10?,11?,12-,13+/m1/s1.

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

(2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 371.34 g/mol, XLogP of -5.46, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-2-[(2R,4S,5S)-2-(aminomethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 90276849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).