(2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

C20H40N4O8 — CID 163088705

About (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

(2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 163088705) has the molecular formula C20H40N4O8 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• PubChem CID: 163088705
• Molecular Formula: C20H40N4O8
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.28
• IUPAC Name: (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@H]([C@H](C)N)CC[C@@H]3N)[C@@H](N)C[C@H]2O)OC[C@]1(C)O
• InChI: InChI=1S/C20H40N4O8/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(25)16(13(15)26)32-19-14(27)17(24-3)20(2,28)7-29-19/h8-19,24-28H,4-7,21-23H2,1-3H3/t8-,9-,10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-/m0/s1
• InChIKey: DFRLTZLTFDGGST-OXOMXFQXSA-N
• XLogP: -3.55
• TPSA: 207.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	-3.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The IUPAC name of (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CID 163088705) is (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

What is the SMILES notation for (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The canonical SMILES for (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@H]([C@H](C)N)CC[C@@H]3N)[C@@H](N)C[C@H]2O)OC[C@]1(C)O.

What is the InChIKey of (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The InChIKey is DFRLTZLTFDGGST-OXOMXFQXSA-N. The full InChI is InChI=1S/C20H40N4O8/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(25)16(13(15)26)32-19-14(27)17(24-3)20(2,28)7-29-19/h8-19,24-28H,4-7,21-23H2,1-3H3/t8-,9-,10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-/m0/s1.

What are the key properties of (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

(2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 464.56 g/mol, XLogP of -3.55, 6 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-[(1R,2S,3S,4S,6R)-4-amino-3-[(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 163088705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).