(2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid

C23H40N2O18 — CID 154723986

About (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid

(2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid (PubChem CID 154723986) has the molecular formula C23H40N2O18 and a molecular weight of 632.57 g/mol. Its IUPAC name is (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid
• PubChem CID: 154723986
• Molecular Formula: C23H40N2O18
• Molecular Weight: 632.57 g/mol
• Exact Mass: 632.23
• IUPAC Name: (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid
• SMILES: N[C@H](CCC(=O)N[C@H]1O[C@@H](CO[C@H]2O[C@H](CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O
• InChI: InChI=1S/C23H40N2O18/c24-6(21(37)38)1-2-10(27)25-20-17(34)14(31)12(29)8(41-20)4-39-23-19(36)16(33)13(30)9(43-23)5-40-22-18(35)15(32)11(28)7(3-26)42-22/h6-9,11-20,22-23,26,28-36H,1-5,24H2,(H,25,27)(H,37,38)/t6-,7+,8+,9-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20+,22+,23+/m1/s1
• InChIKey: FBRQDLODWVMGEI-WVBKLDDNSA-N
• XLogP: -8.26
• TPSA: 340.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	632.57
LogP ≤ 5	-8.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid?

The IUPAC name of (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid (CID 154723986) is (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid.

What is the SMILES notation for (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid?

The canonical SMILES for (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid is N[C@H](CCC(=O)N[C@H]1O[C@@H](CO[C@H]2O[C@H](CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O.

What is the InChIKey of (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid?

The InChIKey is FBRQDLODWVMGEI-WVBKLDDNSA-N. The full InChI is InChI=1S/C23H40N2O18/c24-6(21(37)38)1-2-10(27)25-20-17(34)14(31)12(29)8(41-20)4-39-23-19(36)16(33)13(30)9(43-23)5-40-22-18(35)15(32)11(28)7(3-26)42-22/h6-9,11-20,22-23,26,28-36H,1-5,24H2,(H,25,27)(H,37,38)/t6-,7+,8+,9-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20+,22+,23+/m1/s1.

What are the key properties of (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid?

(2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid has a molecular weight of 632.57 g/mol, XLogP of -8.26, 12 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-5-oxo-5-[[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 154723986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).