(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol

C21H39N3O14 — CID 141274779

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol (PubChem CID 141274779) has the molecular formula C21H39N3O14 and a molecular weight of 557.55 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol
• PubChem CID: 141274779
• Molecular Formula: C21H39N3O14
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.24
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol
• SMILES: C/C=C(\O)[C@]1(CO)O[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C21H39N3O14/c1-2-8(28)21(5-27)17(32)14(31)11(24)20(38-21)37-16-7(4-26)35-19(10(23)13(16)30)36-15-6(3-25)34-18(33)9(22)12(15)29/h2,6-7,9-20,25-33H,3-5,22-24H2,1H3/b8-2-/t6-,7-,9-,10-,11-,12-,13-,14-,15?,16?,17+,18-,19+,20+,21+/m1/s1
• InChIKey: XWXUGEKTZDENKE-FRNJRCHXSA-N
• XLogP: -6.84
• TPSA: 306.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	557.55
LogP ≤ 5	-6.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol (CID 141274779) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol is C/C=C(\O)[C@]1(CO)O[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol?

The InChIKey is XWXUGEKTZDENKE-FRNJRCHXSA-N. The full InChI is InChI=1S/C21H39N3O14/c1-2-8(28)21(5-27)17(32)14(31)11(24)20(38-21)37-16-7(4-26)35-19(10(23)13(16)30)36-15-6(3-25)34-18(33)9(22)12(15)29/h2,6-7,9-20,25-33H,3-5,22-24H2,1H3/b8-2-/t6-,7-,9-,10-,11-,12-,13-,14-,15?,16?,17+,18-,19+,20+,21+/m1/s1.

What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol?

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol has a molecular weight of 557.55 g/mol, XLogP of -6.84, 8 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-2-[(Z)-1-hydroxyprop-1-enyl]oxane-3,4-diol is sourced from PubChem (CID 141274779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).