[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol

C10H13N5O4 — CID 167504350

IUPAC[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
SMILESNc1ncnc2c1ncn2C1CCC(C(O)(O)O)O1
InChIInChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)6-2-1-5(19-6)10(16,17)18/h3-6,16-18H,1-2H2,(H2,11,12,13)
InChIKeyJTXAIESBJSJSNN-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.28
Rot. Bonds2

About [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol

[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol (PubChem CID 167504350) has the molecular formula C10H13N5O4 and a molecular weight of 267.24 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
PubChem CID167504350
Molecular FormulaC10H13N5O4
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol
SMILESNc1ncnc2c1ncn2C1CCC(C(O)(O)O)O1
InChIInChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)6-2-1-5(19-6)10(16,17)18/h3-6,16-18H,1-2H2,(H2,11,12,13)
InChIKeyJTXAIESBJSJSNN-UHFFFAOYSA-N
XLogP-1.28
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methylthiourea
CID 142299425
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
CID 18516769
9-[(2R,5S)-5-[2-[amino(hydroxy)phosphinothioyl]oxyethyl]oxolan-2-yl]purin-6-amine
CID 163488341
N'-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 123204035
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol?
The IUPAC name of [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol (CID 167504350) is [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol.
What is the SMILES notation for [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol?
The canonical SMILES for [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol is Nc1ncnc2c1ncn2C1CCC(C(O)(O)O)O1.
What is the InChIKey of [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol?
The InChIKey is JTXAIESBJSJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(4-14-7)6-2-1-5(19-6)10(16,17)18/h3-6,16-18H,1-2H2,(H2,11,12,13).
What are the key properties of [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol?
[5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol has a molecular weight of 267.24 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)oxolan-2-yl]methanetriol is sourced from PubChem (CID 167504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).