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

C35H63NO26 — CID 145050619

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

(2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 145050619) has the molecular formula C35H63NO26 and a molecular weight of 913.87 g/mol. Its IUPAC name is (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 145050619
• Molecular Formula: C35H63NO26
• Molecular Weight: 913.87 g/mol
• Exact Mass: 913.36
• IUPAC Name: (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCCCCCO[C@@H]1OC(CO)[C@@H](O[C@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O
• InChI: InChI=1S/C35H63NO26/c36-4-2-1-3-5-53-31-23(49)18(44)27(12(7-38)55-31)60-33-25(51)20(46)29(14(9-40)57-33)62-35-26(52)21(47)30(15(10-41)58-35)61-34-24(50)19(45)28(13(8-39)56-34)59-32-22(48)17(43)16(42)11(6-37)54-32/h11-35,37-52H,1-10,36H2/t11?,12?,13?,14?,15?,16-,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29+,30-,31-,32+,33-,34+,35-/m1/s1
• InChIKey: IQTLFAFBGYFFIE-LRERVIAOSA-N
• XLogP: -10.77
• TPSA: 442.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.87
LogP ≤ 5	-10.77
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 145050619) is (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is NCCCCCO[C@@H]1OC(CO)[C@@H](O[C@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O.

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

The InChIKey is IQTLFAFBGYFFIE-LRERVIAOSA-N. The full InChI is InChI=1S/C35H63NO26/c36-4-2-1-3-5-53-31-23(49)18(44)27(12(7-38)55-31)60-33-25(51)20(46)29(14(9-40)57-33)62-35-26(52)21(47)30(15(10-41)58-35)61-34-24(50)19(45)28(13(8-39)56-34)59-32-22(48)17(43)16(42)11(6-37)54-32/h11-35,37-52H,1-10,36H2/t11?,12?,13?,14?,15?,16-,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29+,30-,31-,32+,33-,34+,35-/m1/s1.

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

(2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 913.87 g/mol, XLogP of -10.77, 19 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-2-[(3S,6S)-6-[(3S,6R)-6-[(3R,6R)-6-[(3S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 145050619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).