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

C18H33N3O14 — CID 141011210

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

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 141011210) has the molecular formula C18H33N3O14 and a molecular weight of 515.47 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 141011210
• Molecular Formula: C18H33N3O14
• Molecular Weight: 515.47 g/mol
• Exact Mass: 515.20
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: N[C@H]1[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=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C18H33N3O14/c19-7-12(27)14(5(2-23)31-16(7)29)35-18-9(21-30)13(28)15(6(3-24)33-18)34-17-8(20)11(26)10(25)4(1-22)32-17/h4-18,22-29H,1-3,19-20H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17+,18+/m1/s1
• InChIKey: WWTGUGGWRNJNCJ-IAISRWIPSA-N
• XLogP: -6.87
• TPSA: 289.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	515.47
LogP ≤ 5	-6.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 141011210) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

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

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

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

The InChIKey is WWTGUGGWRNJNCJ-IAISRWIPSA-N. The full InChI is InChI=1S/C18H33N3O14/c19-7-12(27)14(5(2-23)31-16(7)29)35-18-9(21-30)13(28)15(6(3-24)33-18)34-17-8(20)11(26)10(25)4(1-22)32-17/h4-18,22-29H,1-3,19-20H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17+,18+/m1/s1.

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

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 515.47 g/mol, XLogP of -6.87, 8 rotatable bonds, 10 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)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-nitrosooxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 141011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).