(2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

C20H40N4O10 — CID 44658668

About (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

(2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 44658668) has the molecular formula C20H40N4O10 and a molecular weight of 496.56 g/mol. Its IUPAC name is (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• PubChem CID: 44658668
• Molecular Formula: C20H40N4O10
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.27
• IUPAC Name: (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CNC1C(O)[C@@H](O[C@H]2C(N)C[C@H](N)C(O[C@H]3OC(C(C)O)[C@@H](O)C(O)C3N)C2O)OC[C@]1(C)O
• InChI: InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6?,7-,8?,9?,10?,11-,12?,13?,14?,15?,16-,17?,18+,19+,20-/m0/s1
• InChIKey: BRZYSWJRSDMWLG-IQVXDPDMSA-N
• XLogP: -5.61
• TPSA: 248.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	-5.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CID 44658668) is (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

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

The canonical SMILES for (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is CNC1C(O)[C@@H](O[C@H]2C(N)C[C@H](N)C(O[C@H]3OC(C(C)O)[C@@H](O)C(O)C3N)C2O)OC[C@]1(C)O.

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

The InChIKey is BRZYSWJRSDMWLG-IQVXDPDMSA-N. The full InChI is InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6?,7-,8?,9?,10?,11-,12?,13?,14?,15?,16-,17?,18+,19+,20-/m0/s1.

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

(2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 496.56 g/mol, XLogP of -5.61, 6 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[(1S,4S)-4,6-diamino-3-[(2S,5S)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 44658668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).