N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide

C12H16N6O5 — CID 91120567

IUPACN-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide
SMILESCC(=O)NOC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C12H16N6O5/c1-5(20)17-23-9-6(2-19)22-12(8(9)21)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,19,21H,2H2,1H3,(H,17,20)(H2,13,14,15)/t6-,8?,9?,12-/m1/s1
InChIKeyXZNFSRQTOQVMKG-YEFCAQKCSA-N
MW324.30 g/mol
LogP-1.90
Rot. Bonds4

About N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide

N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide (PubChem CID 91120567) has the molecular formula C12H16N6O5 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide
PubChem CID91120567
Molecular FormulaC12H16N6O5
Molecular Weight324.30 g/mol
Exact Mass324.12
IUPAC NameN-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide
SMILESCC(=O)NOC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C12H16N6O5/c1-5(20)17-23-9-6(2-19)22-12(8(9)21)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,19,21H,2H2,1H3,(H,17,20)(H2,13,14,15)/t6-,8?,9?,12-/m1/s1
InChIKeyXZNFSRQTOQVMKG-YEFCAQKCSA-N
XLogP-1.90
TPSA157.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate
CID 118146023
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
sodium [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 53432418
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 6481828
ethyl (2S,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolane-3-carboxylate
CID 51035118
(2R,5R)-4-(3-aminopropoxy)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 69356785
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide?
The IUPAC name of N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide (CID 91120567) is N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide.
What is the SMILES notation for N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide?
The canonical SMILES for N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide is CC(=O)NOC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO.
What is the InChIKey of N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide?
The InChIKey is XZNFSRQTOQVMKG-YEFCAQKCSA-N. The full InChI is InChI=1S/C12H16N6O5/c1-5(20)17-23-9-6(2-19)22-12(8(9)21)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,19,21H,2H2,1H3,(H,17,20)(H2,13,14,15)/t6-,8?,9?,12-/m1/s1.
What are the key properties of N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide?
N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide has a molecular weight of 324.30 g/mol, XLogP of -1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyacetamide is sourced from PubChem (CID 91120567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).