(2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol

C19H38N4O11 — CID 11526167

About (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol

(2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol (PubChem CID 11526167) has the molecular formula C19H38N4O11 and a molecular weight of 498.53 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol
• PubChem CID: 11526167
• Molecular Formula: C19H38N4O11
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.25
• IUPAC Name: (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol
• SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](C)[C@@H](N)[C@H](O)[C@H]2O)[C@H]1N
• InChI: InChI=1S/C19H38N4O11/c1-5-8(21)12(26)14(28)19(30-5)34-16-10(23)17(29-2)32-7(4-24)15(16)33-18-9(22)13(27)11(25)6(3-20)31-18/h5-19,24-28H,3-4,20-23H2,1-2H3/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19+/m1/s1
• InChIKey: YNNYSKOZDYCLJV-HHHWQOKNSA-N
• XLogP: -6.03
• TPSA: 260.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	-6.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol?

The IUPAC name of (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol (CID 11526167) is (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol?

The canonical SMILES for (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol is CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](C)[C@@H](N)[C@H](O)[C@H]2O)[C@H]1N.

What is the InChIKey of (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol?

The InChIKey is YNNYSKOZDYCLJV-HHHWQOKNSA-N. The full InChI is InChI=1S/C19H38N4O11/c1-5-8(21)12(26)14(28)19(30-5)34-16-10(23)17(29-2)32-7(4-24)15(16)33-18-9(22)13(27)11(25)6(3-20)31-18/h5-19,24-28H,3-4,20-23H2,1-2H3/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19+/m1/s1.

What are the key properties of (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol?

(2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol has a molecular weight of 498.53 g/mol, XLogP of -6.03, 7 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-5-amino-2-[(2R,3S,4R,5R,6R)-5-amino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4-diol is sourced from PubChem (CID 11526167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).