(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C20H19N5O5 — CID 11327309

IUPAC(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(-c3ccco3)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H19N5O5/c26-9-13-15(27)16(28)20(30-13)25-18(12-7-4-8-29-12)24-14-17(21-10-22-19(14)25)23-11-5-2-1-3-6-11/h1-8,10,13,15-16,20,26-28H,9H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1
InChIKeyLDXFVXJMYJLLMP-KHTYJDQRSA-N
MW409.40 g/mol
LogP1.44
Rot. Bonds5

About (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11327309) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11327309
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(-c3ccco3)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H19N5O5/c26-9-13-15(27)16(28)20(30-13)25-18(12-7-4-8-29-12)24-14-17(21-10-22-19(14)25)23-11-5-2-1-3-6-11/h1-8,10,13,15-16,20,26-28H,9H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1
InChIKeyLDXFVXJMYJLLMP-KHTYJDQRSA-N
XLogP1.44
TPSA138.69 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11327309) is (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2c(-c3ccco3)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LDXFVXJMYJLLMP-KHTYJDQRSA-N. The full InChI is InChI=1S/C20H19N5O5/c26-9-13-15(27)16(28)20(30-13)25-18(12-7-4-8-29-12)24-14-17(21-10-22-19(14)25)23-11-5-2-1-3-6-11/h1-8,10,13,15-16,20,26-28H,9H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 409.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-anilino-8-(furan-2-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11327309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).