(2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C15H23N5O6 — CID 5273504

About (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 5273504) has the molecular formula C15H23N5O6 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• PubChem CID: 5273504
• Molecular Formula: C15H23N5O6
• Molecular Weight: 369.38 g/mol
• Exact Mass: 369.16
• IUPAC Name: (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• SMILES: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N(CCO)CCO)ncnc21
• InChI: InChI=1S/C15H23N5O6/c1-15(25)11(24)9(6-23)26-14(15)20-8-18-10-12(16-7-17-13(10)20)19(2-4-21)3-5-22/h7-9,11,14,21-25H,2-6H2,1H3/t9-,11-,14-,15-/m1/s1
• InChIKey: LNDRAOSERUKLHM-NZQZLILVSA-N
• XLogP: -2.38
• TPSA: 157.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.38
LogP ≤ 5	-2.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The IUPAC name of (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 5273504) is (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The canonical SMILES for (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N(CCO)CCO)ncnc21.

What is the InChIKey of (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The InChIKey is LNDRAOSERUKLHM-NZQZLILVSA-N. The full InChI is InChI=1S/C15H23N5O6/c1-15(25)11(24)9(6-23)26-14(15)20-8-18-10-12(16-7-17-13(10)20)19(2-4-21)3-5-22/h7-9,11,14,21-25H,2-6H2,1H3/t9-,11-,14-,15-/m1/s1.

What are the key properties of (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

(2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 369.38 g/mol, XLogP of -2.38, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-[6-[bis(2-hydroxyethyl)amino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 5273504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).