(7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol

C13H15N5O4 — CID 146600997

About (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol

(7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol (PubChem CID 146600997) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol.

Molecular Properties

• Compound Name: (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol
• PubChem CID: 146600997
• Molecular Formula: C13H15N5O4
• Molecular Weight: 305.29 g/mol
• Exact Mass: 305.11
• IUPAC Name: (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol
• SMILES: Nc1ncnc2c1ncn2C1OC2(CO)[C@H](O)C1OC21CC1
• InChI: InChI=1S/C13H15N5O4/c14-9-6-10(16-4-15-9)18(5-17-6)11-7-8(20)13(3-19,22-11)12(21-7)1-2-12/h4-5,7-8,11,19-20H,1-3H2,(H2,14,15,16)/t7?,8-,11?,13?/m1/s1
• InChIKey: IVDSVNVRMQQSOF-HKESXWJASA-N
• XLogP: -1.04
• TPSA: 128.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.29
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol?

The IUPAC name of (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol (CID 146600997) is (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol.

What is the SMILES notation for (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol?

The canonical SMILES for (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol is Nc1ncnc2c1ncn2C1OC2(CO)[C@H](O)C1OC21CC1.

What is the InChIKey of (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol?

The InChIKey is IVDSVNVRMQQSOF-HKESXWJASA-N. The full InChI is InChI=1S/C13H15N5O4/c14-9-6-10(16-4-15-9)18(5-17-6)11-7-8(20)13(3-19,22-11)12(21-7)1-2-12/h4-5,7-8,11,19-20H,1-3H2,(H2,14,15,16)/t7?,8-,11?,13?/m1/s1.

What are the key properties of (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol?

(7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol has a molecular weight of 305.29 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol is sourced from PubChem (CID 146600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).