[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate

C24H36N2O15 — CID 134871253

About [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate (PubChem CID 134871253) has the molecular formula C24H36N2O15 and a molecular weight of 592.55 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate
• PubChem CID: 134871253
• Molecular Formula: C24H36N2O15
• Molecular Weight: 592.55 g/mol
• Exact Mass: 592.21
• IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate
• SMILES: CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@H]2O[C@H](CN)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)O[C@H](CN)[C@H]1OC(C)=O
• InChI: InChI=1S/C24H36N2O15/c1-9(27)33-17-15(7-25)39-23(21(37-13(5)31)19(17)35-11(3)29)41-24-22(38-14(6)32)20(36-12(4)30)18(34-10(2)28)16(8-26)40-24/h15-24H,7-8,25-26H2,1-6H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1
• InChIKey: MZQHNCIBPOAMBS-FXPCSOOLSA-N
• XLogP: -2.04
• TPSA: 237.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.55
LogP ≤ 5	-2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate?

The IUPAC name of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate (CID 134871253) is [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@H]2O[C@H](CN)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)O[C@H](CN)[C@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate?

The InChIKey is MZQHNCIBPOAMBS-FXPCSOOLSA-N. The full InChI is InChI=1S/C24H36N2O15/c1-9(27)33-17-15(7-25)39-23(21(37-13(5)31)19(17)35-11(3)29)41-24-22(38-14(6)32)20(36-12(4)30)18(34-10(2)28)16(8-26)40-24/h15-24H,7-8,25-26H2,1-6H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate?

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate has a molecular weight of 592.55 g/mol, XLogP of -2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(aminomethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(aminomethyl)oxan-2-yl]oxyoxan-3-yl] acetate is sourced from PubChem (CID 134871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).