disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide

C91H124N34Na2O30 — CID 160710538

About disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide

disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide (PubChem CID 160710538) has the molecular formula C91H124N34Na2O30 and a molecular weight of 2220.18 g/mol. Its IUPAC name is disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide.

Molecular Properties

• Compound Name: disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide
• PubChem CID: 160710538
• Molecular Formula: C91H124N34Na2O30
• Molecular Weight: 2220.18 g/mol
• Exact Mass: 2218.90
• IUPAC Name: disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide
• SMILES: CCOC(=O)CO[C@H]1C=C[C@@H](O)C1.COC(=O)CO[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1.COC(=O)CO[C@H]1C=C[C@H](O)C1.COC(=O)CO[C@H]1CC[C@@H](n2cnc3c(N)ncnc32)C1.NO.NO.Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OCC(=O)NO)C1.Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OCC(=O)O)C1.Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCC(=O)NO)C1.Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCC(=O)O)C1.[Na+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C13H17N5O3.C13H15N5O3.C12H16N6O3.C12H14N6O3.C12H15N5O3.C12H13N5O3.C9H14O4.C8H12O4.2H3NO.2Na.2H2O/c2*1-20-10(19)5-21-9-3-2-8(4-9)18-7-17-11-12(14)15-6-16-13(11)18;2*13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20;2*13-11-10-12(15-5-14-11)17(6-16-10)7-1-2-8(3-7)20-4-9(18)19;1-2-12-9(11)6-13-8-4-3-7(10)5-8;1-11-8(10)5-12-7-3-2-6(9)4-7;2*1-2;;;;/h6-9H,2-5H2,1H3,(H2,14,15,16);2-3,6-9H,4-5H2,1H3,(H2,14,15,16);5-8,20H,1-4H2,(H,17,19)(H2,13,14,15);1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15);5-8H,1-4H2,(H,18,19)(H2,13,14,15);1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15);3-4,7-8,10H,2,5-6H2,1H3;2-3,6-7,9H,4-5H2,1H3;2*2H,1H2;;;2*1H2/q;;;;;;;;;;2*+1;;/p-2/t2*8-,9+;5*7-,8+;6-,7-;;;;;;/m11111110....../s1
• InChIKey: RRUJLQQNVGLYGC-QSCVFNBMSA-L
• XLogP: -5.59
• TPSA: 962.98 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 60
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2220.18
LogP ≤ 5	-5.59
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide?

The IUPAC name of disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide (CID 160710538) is disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide.

What is the SMILES notation for disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide?

The canonical SMILES for disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide is CCOC(=O)CO[C@H]1C=C[C@@H](O)C1.COC(=O)CO[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1.COC(=O)CO[C@H]1C=C[C@H](O)C1.COC(=O)CO[C@H]1CC[C@@H](n2cnc3c(N)ncnc32)C1.NO.NO.Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OCC(=O)NO)C1.Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](OCC(=O)O)C1.Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCC(=O)NO)C1.Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCC(=O)O)C1.[Na+].[Na+].[OH-].[OH-].

What is the InChIKey of disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide?

The InChIKey is RRUJLQQNVGLYGC-QSCVFNBMSA-L. The full InChI is InChI=1S/C13H17N5O3.C13H15N5O3.C12H16N6O3.C12H14N6O3.C12H15N5O3.C12H13N5O3.C9H14O4.C8H12O4.2H3NO.2Na.2H2O/c2*1-20-10(19)5-21-9-3-2-8(4-9)18-7-17-11-12(14)15-6-16-13(11)18;2*13-11-10-12(15-5-14-11)18(6-16-10)7-1-2-8(3-7)21-4-9(19)17-20;2*13-11-10-12(15-5-14-11)17(6-16-10)7-1-2-8(3-7)20-4-9(18)19;1-2-12-9(11)6-13-8-4-3-7(10)5-8;1-11-8(10)5-12-7-3-2-6(9)4-7;2*1-2;;;;/h6-9H,2-5H2,1H3,(H2,14,15,16);2-3,6-9H,4-5H2,1H3,(H2,14,15,16);5-8,20H,1-4H2,(H,17,19)(H2,13,14,15);1-2,5-8,20H,3-4H2,(H,17,19)(H2,13,14,15);5-8H,1-4H2,(H,18,19)(H2,13,14,15);1-2,5-8H,3-4H2,(H,18,19)(H2,13,14,15);3-4,7-8,10H,2,5-6H2,1H3;2-3,6-7,9H,4-5H2,1H3;2*2H,1H2;;;2*1H2/q;;;;;;;;;;2*+1;;/p-2/t2*8-,9+;5*7-,8+;6-,7-;;;;;;/m11111110....../s1.

What are the key properties of disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide?

disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide has a molecular weight of 2220.18 g/mol, XLogP of -5.59, 31 rotatable bonds, 18 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid;2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxy-N-hydroxyacetamide;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetic acid;2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxy-N-hydroxyacetamide;ethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;hydroxylamine;methyl 2-[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate;methyl 2-[(1S,3R)-3-(6-aminopurin-9-yl)cyclopentyl]oxyacetate;methyl 2-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]oxyacetate;dihydroxide is sourced from PubChem (CID 160710538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).