(2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal

C18H33NO14 — CID 121434409

About (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal

(2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal (PubChem CID 121434409) has the molecular formula C18H33NO14 and a molecular weight of 487.46 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal
• PubChem CID: 121434409
• Molecular Formula: C18H33NO14
• Molecular Weight: 487.46 g/mol
• Exact Mass: 487.19
• IUPAC Name: (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal
• SMILES: C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](N)C=O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C18H33NO14/c1-5-9(24)11(26)13(28)17(30-5)33-16-8(4-22)31-18(14(29)12(16)27)32-15(6(19)2-20)10(25)7(23)3-21/h2,5-18,21-29H,3-4,19H2,1H3/t5-,6-,7+,8+,9-,10-,11+,12+,13+,14+,15+,16+,17+,18-/m0/s1
• InChIKey: GMQIWJXDXVMJQC-MNXREDFOSA-N
• XLogP: -6.74
• TPSA: 262.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	487.46
LogP ≤ 5	-6.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal?

The IUPAC name of (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal (CID 121434409) is (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal.

What is the SMILES notation for (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal?

The canonical SMILES for (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal is C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](N)C=O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal?

The InChIKey is GMQIWJXDXVMJQC-MNXREDFOSA-N. The full InChI is InChI=1S/C18H33NO14/c1-5-9(24)11(26)13(28)17(30-5)33-16-8(4-22)31-18(14(29)12(16)27)32-15(6(19)2-20)10(25)7(23)3-21/h2,5-18,21-29H,3-4,19H2,1H3/t5-,6-,7+,8+,9-,10-,11+,12+,13+,14+,15+,16+,17+,18-/m0/s1.

What are the key properties of (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal?

(2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal has a molecular weight of 487.46 g/mol, XLogP of -6.74, 10 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-amino-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyhexanal is sourced from PubChem (CID 121434409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).