(2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane

C47H84Fe2N10O9 — CID 162272130

About (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane

(2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane (PubChem CID 162272130) has the molecular formula C47H84Fe2N10O9 and a molecular weight of 1044.94 g/mol. Its IUPAC name is (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane.

Molecular Properties

• Compound Name: (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane
• PubChem CID: 162272130
• Molecular Formula: C47H84Fe2N10O9
• Molecular Weight: 1044.94 g/mol
• Exact Mass: 1044.51
• IUPAC Name: (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane
• SMILES: C.C1CCCC1.C1CCCC1.COC1CCCC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCC4)ncnc32)[C@@H](O)C1O.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2]
• InChI: InChI=1S/C16H23N5O4.C10H13N5O4.C6H12O.2C5H10.CH4.4CH3.2Fe/c22-6-10-12(23)13(24)16(25-10)21-8-20-11-14(18-7-19-15(11)21)17-5-9-3-1-2-4-9;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-7-6-4-2-3-5-6;2*1-2-4-5-3-1;;;;;;;/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13);6H,2-5H2,1H3;2*1-5H2;1H4;4*1H3;;/q;;;;;;4*-1;2*+2/t10-,12?,13+,16-;4-,6?,7+,10-;;;;;;;;;;/m11........../s1
• InChIKey: RVVQRWIPHXJSRX-KSDONKPKSA-N
• XLogP: 5.97
• TPSA: 274.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1044.94
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane?

The IUPAC name of (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane (CID 162272130) is (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane.

What is the SMILES notation for (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane?

The canonical SMILES for (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane is C.C1CCCC1.C1CCCC1.COC1CCCC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCC4)ncnc32)[C@@H](O)C1O.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].

What is the InChIKey of (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane?

The InChIKey is RVVQRWIPHXJSRX-KSDONKPKSA-N. The full InChI is InChI=1S/C16H23N5O4.C10H13N5O4.C6H12O.2C5H10.CH4.4CH3.2Fe/c22-6-10-12(23)13(24)16(25-10)21-8-20-11-14(18-7-19-15(11)21)17-5-9-3-1-2-4-9;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-7-6-4-2-3-5-6;2*1-2-4-5-3-1;;;;;;;/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13);6H,2-5H2,1H3;2*1-5H2;1H4;4*1H3;;/q;;;;;;4*-1;2*+2/t10-,12?,13+,16-;4-,6?,7+,10-;;;;;;;;;;/m11........../s1.

What are the key properties of (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane?

(2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane has a molecular weight of 1044.94 g/mol, XLogP of 5.97, 8 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;carbanide;bis(cyclopentane);(2R,3S,5R)-2-[6-(cyclopentylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis(iron(2+));methane;methoxycyclopentane is sourced from PubChem (CID 162272130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).