(2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol

C32H62N8O8 — CID 90667343

About (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol

(2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol (PubChem CID 90667343) has the molecular formula C32H62N8O8 and a molecular weight of 686.90 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol
• PubChem CID: 90667343
• Molecular Formula: C32H62N8O8
• Molecular Weight: 686.90 g/mol
• Exact Mass: 686.47
• IUPAC Name: (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol
• SMILES: CCCCCCCCCCCCc1cn(C[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)C[C@H]4N)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2O)nn1
• InChI: InChI=1S/C32H62N8O8/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-40(39-38-18)17-24-26(42)25(37)27(43)32(46-24)48-30-20(35)13-19(34)29(28(30)44)47-31-21(36)14-22(41)23(15-33)45-31/h16,19-32,41-44H,2-15,17,33-37H2,1H3/t19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32+/m0/s1
• InChIKey: NIHXPPOFFKPESS-GWEZSMEQSA-N
• XLogP: -1.53
• TPSA: 278.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	686.90
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol?

The IUPAC name of (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol (CID 90667343) is (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol?

The canonical SMILES for (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol is CCCCCCCCCCCCc1cn(C[C@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4O[C@H](CN)[C@@H](O)C[C@H]4N)[C@@H](N)C[C@H]3N)[C@H](O)[C@@H](N)[C@@H]2O)nn1.

What is the InChIKey of (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol?

The InChIKey is NIHXPPOFFKPESS-GWEZSMEQSA-N. The full InChI is InChI=1S/C32H62N8O8/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-40(39-38-18)17-24-26(42)25(37)27(43)32(46-24)48-30-20(35)13-19(34)29(28(30)44)47-31-21(36)14-22(41)23(15-33)45-31/h16,19-32,41-44H,2-15,17,33-37H2,1H3/t19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32+/m0/s1.

What are the key properties of (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol?

(2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol has a molecular weight of 686.90 g/mol, XLogP of -1.53, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[(4-dodecyltriazol-1-yl)methyl]oxane-3,5-diol is sourced from PubChem (CID 90667343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).