[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol

C9H10N4O3 — CID 70292310

IUPAC[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1CO[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C9H10N4O3/c14-2-6-3-15-9(16-6)13-5-12-7-1-10-4-11-8(7)13/h1,4-6,9,14H,2-3H2/t6-,9-/m0/s1
InChIKeyCBBUPWRIFIXGBP-RCOVLWMOSA-N
MW222.20 g/mol
LogP-0.31
Rot. Bonds2

About [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol

[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol (PubChem CID 70292310) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol
PubChem CID70292310
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1CO[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C9H10N4O3/c14-2-6-3-15-9(16-6)13-5-12-7-1-10-4-11-8(7)13/h1,4-6,9,14H,2-3H2/t6-,9-/m0/s1
InChIKeyCBBUPWRIFIXGBP-RCOVLWMOSA-N
XLogP-0.31
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol
CID 155660909
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
2-purin-9-ylcyclohexan-1-ol
CID 517723
9-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]purine
CID 174181937
(2R,3S,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-ylthiolan-3-ol
CID 54400741
[(2R,3R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
CID 163766650
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068
2-purin-9-ylpiperidine-1-carboxylic acid
CID 146273917
(3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-one
CID 16737831
ethane-1,2-diol;purin-9-amine
CID 174612658
(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol
CID 159661828

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol (CID 70292310) is [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol is OC[C@H]1CO[C@H](n2cnc3cncnc32)O1.
What is the InChIKey of [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol?
The InChIKey is CBBUPWRIFIXGBP-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-2-6-3-15-9(16-6)13-5-12-7-1-10-4-11-8(7)13/h1,4-6,9,14H,2-3H2/t6-,9-/m0/s1.
What are the key properties of [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol?
[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol has a molecular weight of 222.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 70292310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).