(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol

C14H21N7O4 — CID 53344784

About (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol (PubChem CID 53344784) has the molecular formula C14H21N7O4 and a molecular weight of 351.37 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol
• PubChem CID: 53344784
• Molecular Formula: C14H21N7O4
• Molecular Weight: 351.37 g/mol
• Exact Mass: 351.17
• IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol
• SMILES: CC(C)/C=N/NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C14H21N7O4/c1-7(2)3-19-20-24-4-8-10(22)11(23)14(25-8)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-8,10-11,14,20,22-23H,4H2,1-2H3,(H2,15,16,17)/b19-3+/t8-,10-,11-,14-/m1/s1
• InChIKey: QQHOJHNIPYBIRQ-WNSDBVTISA-N
• XLogP: -0.81
• TPSA: 152.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.37
LogP ≤ 5	-0.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol (CID 53344784) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol is CC(C)/C=N/NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol?

The InChIKey is QQHOJHNIPYBIRQ-WNSDBVTISA-N. The full InChI is InChI=1S/C14H21N7O4/c1-7(2)3-19-20-24-4-8-10(22)11(23)14(25-8)21-6-18-9-12(15)16-5-17-13(9)21/h3,5-8,10-11,14,20,22-23H,4H2,1-2H3,(H2,15,16,17)/b19-3+/t8-,10-,11-,14-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol has a molecular weight of 351.37 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(2E)-2-(2-methylpropylidene)hydrazinyl]oxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 53344784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).