[(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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate

C24H43N5O17 — CID 139796476

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate

[(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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate (PubChem CID 139796476) has the molecular formula C24H43N5O17 and a molecular weight of 673.63 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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate.

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate
• PubChem CID: 139796476
• Molecular Formula: C24H43N5O17
• Molecular Weight: 673.63 g/mol
• Exact Mass: 673.27
• 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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate
• SMILES: NC(=O)CC(CC(=O)O[C@@]1(CO)O[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)[C@H](N)[C@@H](O)[C@@H]1O)C(N)=O
• InChI: InChI=1S/C24H43N5O17/c25-9(33)1-6(20(29)39)2-10(34)45-24(5-32)19(38)16(37)13(28)23(46-24)44-18-8(4-31)42-22(12(27)15(18)36)43-17-7(3-30)41-21(40)11(26)14(17)35/h6-8,11-19,21-23,30-32,35-38,40H,1-5,26-28H2,(H2,25,33)(H2,29,39)/t6?,7-,8-,11-,12-,13-,14-,15-,16-,17?,18?,19+,21-,22+,23+,24+/m1/s1
• InChIKey: NIGQRQWKCIWSPJ-PJSNXYJNSA-N
• XLogP: -9.44
• TPSA: 398.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	673.63
LogP ≤ 5	-9.44
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate?

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate (CID 139796476) 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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate.

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate?

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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate is NC(=O)CC(CC(=O)O[C@@]1(CO)O[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)[C@H](N)[C@@H](O)[C@@H]1O)C(N)=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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate?

The InChIKey is NIGQRQWKCIWSPJ-PJSNXYJNSA-N. The full InChI is InChI=1S/C24H43N5O17/c25-9(33)1-6(20(29)39)2-10(34)45-24(5-32)19(38)16(37)13(28)23(46-24)44-18-8(4-31)42-22(12(27)15(18)36)43-17-7(3-30)41-21(40)11(26)14(17)35/h6-8,11-19,21-23,30-32,35-38,40H,1-5,26-28H2,(H2,25,33)(H2,29,39)/t6?,7-,8-,11-,12-,13-,14-,15-,16-,17?,18?,19+,21-,22+,23+,24+/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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate?

[(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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate has a molecular weight of 673.63 g/mol, XLogP of -9.44, 13 rotatable bonds, 13 hydrogen bond donors, and 20 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-3,4-dihydroxy-2-(hydroxymethyl)oxan-2-yl] 5-amino-3-carbamoyl-5-oxopentanoate is sourced from PubChem (CID 139796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).