(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol

C20H40N2O8 — CID 58338801

About (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol

(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol (PubChem CID 58338801) has the molecular formula C20H40N2O8 and a molecular weight of 436.55 g/mol. Its IUPAC name is (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

• Compound Name: (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol
• PubChem CID: 58338801
• Molecular Formula: C20H40N2O8
• Molecular Weight: 436.55 g/mol
• Exact Mass: 436.28
• IUPAC Name: (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol
• SMILES: CC(C)(C)O[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](C(C)(C)C)C(O)[C@H]2N)C(O)[C@H]1N
• InChI: InChI=1S/C20H40N2O8/c1-19(2,3)11-9(7-23)27-17(12(21)14(11)25)29-16-10(8-24)28-18(13(22)15(16)26)30-20(4,5)6/h9-18,23-26H,7-8,21-22H2,1-6H3/t9?,10?,11-,12+,13+,14?,15?,16-,17-,18-/m0/s1
• InChIKey: POYANZFYVQZAJU-QASRMDGGSA-N
• XLogP: -1.34
• TPSA: 169.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	-1.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol?

The IUPAC name of (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol (CID 58338801) is (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol.

What is the SMILES notation for (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol?

The canonical SMILES for (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol is CC(C)(C)O[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](C(C)(C)C)C(O)[C@H]2N)C(O)[C@H]1N.

What is the InChIKey of (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol?

The InChIKey is POYANZFYVQZAJU-QASRMDGGSA-N. The full InChI is InChI=1S/C20H40N2O8/c1-19(2,3)11-9(7-23)27-17(12(21)14(11)25)29-16-10(8-24)28-18(13(22)15(16)26)30-20(4,5)6/h9-18,23-26H,7-8,21-22H2,1-6H3/t9?,10?,11-,12+,13+,14?,15?,16-,17-,18-/m0/s1.

What are the key properties of (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol?

(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 436.55 g/mol, XLogP of -1.34, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 58338801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).