(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol

C14H28N2O8 — CID 58771482

About (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol

(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 58771482) has the molecular formula C14H28N2O8 and a molecular weight of 352.38 g/mol. Its IUPAC name is (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 58771482
• Molecular Formula: C14H28N2O8
• Molecular Weight: 352.38 g/mol
• Exact Mass: 352.18
• IUPAC Name: (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: CO[C@H]1OC(CO)[C@@H](CC2OC(CO)C(O)[C@H](O)[C@H]2N)C(O)[C@@H]1N
• InChI: InChI=1S/C14H28N2O8/c1-22-14-10(16)11(19)5(7(3-17)24-14)2-6-9(15)13(21)12(20)8(4-18)23-6/h5-14,17-21H,2-4,15-16H2,1H3/t5-,6?,7?,8?,9+,10+,11?,12?,13-,14+/m1/s1
• InChIKey: IUWNHZQIJXNNDK-SZVXCGSBSA-N
• XLogP: -4.15
• TPSA: 180.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.38
LogP ≤ 5	-4.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol (CID 58771482) is (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol is CO[C@H]1OC(CO)[C@@H](CC2OC(CO)C(O)[C@H](O)[C@H]2N)C(O)[C@@H]1N.

What is the InChIKey of (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is IUWNHZQIJXNNDK-SZVXCGSBSA-N. The full InChI is InChI=1S/C14H28N2O8/c1-22-14-10(16)11(19)5(7(3-17)24-14)2-6-9(15)13(21)12(20)8(4-18)23-6/h5-14,17-21H,2-4,15-16H2,1H3/t5-,6?,7?,8?,9+,10+,11?,12?,13-,14+/m1/s1.

What are the key properties of (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol?

(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 352.38 g/mol, XLogP of -4.15, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 58771482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).