2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide

C19H35N7O13 — CID 90304914

About 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide

2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide (PubChem CID 90304914) has the molecular formula C19H35N7O13 and a molecular weight of 569.52 g/mol. Its IUPAC name is 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide
• PubChem CID: 90304914
• Molecular Formula: C19H35N7O13
• Molecular Weight: 569.52 g/mol
• Exact Mass: 569.23
• IUPAC Name: 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide
• SMILES: [N-]=[N+]=NCC(=O)NCC1O[C@H](O[C@@H]2C(N)O[C@@H](N)[C@@H](O[C@H]3OC(CO)[C@@H](O)[C@@H](N)C3O)C2O)C(O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C19H35N7O13/c20-7-8(29)5(3-27)36-18(10(7)31)37-14-13(34)15(17(22)39-16(14)21)38-19-12(33)11(32)9(30)4(35-19)1-24-6(28)2-25-26-23/h4-5,7-19,27,29-34H,1-3,20-22H2,(H,24,28)/t4?,5?,7-,8-,9-,10?,11+,12?,13?,14+,15+,16-,17?,18-,19-/m1/s1
• InChIKey: PNHHDTDNHMVLQP-ZETDGNEXSA-N
• XLogP: -7.28
• TPSA: 343.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	569.52
LogP ≤ 5	-7.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide?

The IUPAC name of 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide (CID 90304914) is 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide.

What is the SMILES notation for 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide?

The canonical SMILES for 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide is [N-]=[N+]=NCC(=O)NCC1O[C@H](O[C@@H]2C(N)O[C@@H](N)[C@@H](O[C@H]3OC(CO)[C@@H](O)[C@@H](N)C3O)C2O)C(O)[C@@H](O)[C@@H]1O.

What is the InChIKey of 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide?

The InChIKey is PNHHDTDNHMVLQP-ZETDGNEXSA-N. The full InChI is InChI=1S/C19H35N7O13/c20-7-8(29)5(3-27)36-18(10(7)31)37-14-13(34)15(17(22)39-16(14)21)38-19-12(33)11(32)9(30)4(35-19)1-24-6(28)2-25-26-23/h4-5,7-19,27,29-34H,1-3,20-22H2,(H,24,28)/t4?,5?,7-,8-,9-,10?,11+,12?,13?,14+,15+,16-,17?,18-,19-/m1/s1.

What are the key properties of 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide?

2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide has a molecular weight of 569.52 g/mol, XLogP of -7.28, 9 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azido-N-[[(3S,4S,6R)-6-[(3S,5S,6R)-2,6-diamino-5-[(2R,4R,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]acetamide is sourced from PubChem (CID 90304914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).