(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

C26H52N4O14 — CID 143819837

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 143819837) has the molecular formula C26H52N4O14 and a molecular weight of 644.72 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 143819837
• Molecular Formula: C26H52N4O14
• Molecular Weight: 644.72 g/mol
• Exact Mass: 644.35
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCN(CC)C(C)[C@]1(O)[C@H](O)[C@@H](N)[C@@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)[C@H]2O)O[C@]1(CO)C(C)O
• InChI: InChI=1S/C26H52N4O14/c1-5-30(6-2)10(3)26(39)21(37)16(29)24(44-25(26,9-33)11(4)34)43-20-13(8-32)41-23(15(28)18(20)36)42-19-12(7-31)40-22(38)14(27)17(19)35/h10-24,31-39H,5-9,27-29H2,1-4H3/t10?,11?,12-,13-,14-,15-,16-,17-,18-,19?,20?,21-,22-,23+,24+,25-,26+/m1/s1
• InChIKey: WLHHPVZGBSRGTN-OZSHBFRMSA-N
• XLogP: -6.82
• TPSA: 309.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	644.72
LogP ≤ 5	-6.82
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 143819837) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is CCN(CC)C(C)[C@]1(O)[C@H](O)[C@@H](N)[C@@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)[C@H]2O)O[C@]1(CO)C(C)O.

What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is WLHHPVZGBSRGTN-OZSHBFRMSA-N. The full InChI is InChI=1S/C26H52N4O14/c1-5-30(6-2)10(3)26(39)21(37)16(29)24(44-25(26,9-33)11(4)34)43-20-13(8-32)41-23(15(28)18(20)36)42-19-12(7-31)40-22(38)14(27)17(19)35/h10-24,31-39H,5-9,27-29H2,1-4H3/t10?,11?,12-,13-,14-,15-,16-,17-,18-,19?,20?,21-,22-,23+,24+,25-,26+/m1/s1.

What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol?

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 644.72 g/mol, XLogP of -6.82, 12 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[1-(diethylamino)ethyl]-2-(1-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 143819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).