2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

C19H31N2O6- — CID 163146259

About 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol (PubChem CID 163146259) has the molecular formula C19H31N2O6- and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
• PubChem CID: 163146259
• Molecular Formula: C19H31N2O6-
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.22
• IUPAC Name: 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
• SMILES: CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@](C)([C@@H](O)Cc3c[nH]c(N([O-])O)c3)O2)O1
• InChI: InChI=1S/C19H31N2O6/c1-17(2,23)14-5-8-19(4,26-14)15-6-7-18(3,27-15)13(22)9-12-10-16(20-11-12)21(24)25/h10-11,13-15,20,22-24H,5-9H2,1-4H3/q-1/t13-,14+,15+,18+,19-/m0/s1
• InChIKey: WFABNGCZCFRJBY-HIBCTMLNSA-N
• XLogP: 2.26
• TPSA: 121.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?

The IUPAC name of 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol (CID 163146259) is 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol.

What is the SMILES notation for 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?

The canonical SMILES for 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol is CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@](C)([C@@H](O)Cc3c[nH]c(N([O-])O)c3)O2)O1.

What is the InChIKey of 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?

The InChIKey is WFABNGCZCFRJBY-HIBCTMLNSA-N. The full InChI is InChI=1S/C19H31N2O6/c1-17(2,23)14-5-8-19(4,26-14)15-6-7-18(3,27-15)13(22)9-12-10-16(20-11-12)21(24)25/h10-11,13-15,20,22-24H,5-9H2,1-4H3/q-1/t13-,14+,15+,18+,19-/m0/s1.

What are the key properties of 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?

2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol has a molecular weight of 383.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5S)-5-[(2R,5R)-5-[(1S)-1-hydroxy-2-[5-[hydroxy(oxido)amino]-1H-pyrrol-3-yl]ethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol is sourced from PubChem (CID 163146259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).