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

C28H51NO20 — CID 71042723

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

(2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 71042723) has the molecular formula C28H51NO20 and a molecular weight of 721.70 g/mol. Its IUPAC name is (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 71042723
• Molecular Formula: C28H51NO20
• Molecular Weight: 721.70 g/mol
• Exact Mass: 721.30
• IUPAC Name: (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O)C(O)C4O)C3N)C2O)C(O)C1O
• InChI: InChI=1S/C28H51NO20/c1-2-3-4-42-26-20(40)18(38)22(12(8-33)46-26)47-28-21(41)24(16(36)11(7-32)45-28)49-25-13(29)23(15(35)10(6-31)43-25)48-27-19(39)17(37)14(34)9(5-30)44-27/h9-28,30-41H,2-8,29H2,1H3/t9?,10?,11?,12?,13?,14-,15+,16-,17?,18?,19?,20?,21?,22+,23?,24?,25-,26+,27-,28-/m0/s1
• InChIKey: HFAYZWWCSFHVSE-JKJHCSJWSA-N
• XLogP: -7.96
• TPSA: 342.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	721.70
LogP ≤ 5	-7.96
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 71042723) is (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O)C(O)C4O)C3N)C2O)C(O)C1O.

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

The InChIKey is HFAYZWWCSFHVSE-JKJHCSJWSA-N. The full InChI is InChI=1S/C28H51NO20/c1-2-3-4-42-26-20(40)18(38)22(12(8-33)46-26)47-28-21(41)24(16(36)11(7-32)45-28)49-25-13(29)23(15(35)10(6-31)43-25)48-27-19(39)17(37)14(34)9(5-30)44-27/h9-28,30-41H,2-8,29H2,1H3/t9?,10?,11?,12?,13?,14-,15+,16-,17?,18?,19?,20?,21?,22+,23?,24?,25-,26+,27-,28-/m0/s1.

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

(2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 721.70 g/mol, XLogP of -7.96, 14 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[(2S,5S)-3-amino-2-[(2S,5S)-2-[(3S,6R)-6-butoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 71042723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).