(2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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

C30H55NO21 — CID 130356123

About (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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

(2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 130356123) has the molecular formula C30H55NO21 and a molecular weight of 765.76 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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: (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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: 130356123
• Molecular Formula: C30H55NO21
• Molecular Weight: 765.76 g/mol
• Exact Mass: 765.33
• IUPAC Name: (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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: NCCCCCCO[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](O)C4O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C30H55NO21/c31-5-3-1-2-4-6-45-27-21(42)17(38)24(12(8-33)47-27)51-29-23(44)19(40)26(14(10-35)49-29)52-30-22(43)18(39)25(13(9-34)48-30)50-28-20(41)16(37)15(36)11(7-32)46-28/h11-30,32-44H,1-10,31H2/t11?,12?,13?,14?,15-,16-,17+,18+,19+,20?,21?,22?,23?,24-,25+,26+,27-,28+,29+,30-/m0/s1
• InChIKey: FYXSFDPHHKCAJZ-REDIYYLQSA-N
• XLogP: -8.21
• TPSA: 362.85 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	765.76
LogP ≤ 5	-8.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 130356123) is (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 NCCCCCCO[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](O)C4O)[C@H](O)C3O)[C@H](O)C2O)[C@H](O)C1O.

What is the InChIKey of (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 FYXSFDPHHKCAJZ-REDIYYLQSA-N. The full InChI is InChI=1S/C30H55NO21/c31-5-3-1-2-4-6-45-27-21(42)17(38)24(12(8-33)47-27)51-29-23(44)19(40)26(14(10-35)49-29)52-30-22(43)18(39)25(13(9-34)48-30)50-28-20(41)16(37)15(36)11(7-32)46-28/h11-30,32-44H,1-10,31H2/t11?,12?,13?,14?,15-,16-,17+,18+,19+,20?,21?,22?,23?,24-,25+,26+,27-,28+,29+,30-/m0/s1.

What are the key properties of (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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?

(2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 765.76 g/mol, XLogP of -8.21, 17 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R)-2-[(3S,4R,6S)-6-[(3S,4R,6R)-6-[(3R,4R,6S)-6-(6-aminohexoxy)-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 130356123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).