(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal

C10H10N4O5 — CID 135400916

IUPAC(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal
SMILESO=C[C@@H](CO)O[C@H](C=O)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m0/s1
InChIKeyRGWOFTGZWJGPHG-NKWVEPMBSA-N
MW266.21 g/mol
LogP-1.61
Rot. Bonds6

About (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal

(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal (PubChem CID 135400916) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal
PubChem CID135400916
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal
SMILESO=C[C@@H](CO)O[C@H](C=O)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m0/s1
InChIKeyRGWOFTGZWJGPHG-NKWVEPMBSA-N
XLogP-1.61
TPSA127.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal?
The IUPAC name of (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal (CID 135400916) is (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal.
What is the SMILES notation for (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal?
The canonical SMILES for (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal is O=C[C@@H](CO)O[C@H](C=O)n1cnc2c(=O)[nH]cnc21.
What is the InChIKey of (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal?
The InChIKey is RGWOFTGZWJGPHG-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m0/s1.
What are the key properties of (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal?
(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal has a molecular weight of 266.21 g/mol, XLogP of -1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal is sourced from PubChem (CID 135400916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).