(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol

C10H12N4O4 — CID 46875006

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol
SMILESOC[C@H]1OC(n2ncc3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N4O4/c15-3-6-7(16)8(17)10(18-6)14-9-5(2-13-14)1-11-4-12-9/h1-2,4,6-8,10,15-17H,3H2/t6-,7-,8-,10?/m1/s1
InChIKeyFZGIESUOSIXWOH-JSDYZDKHSA-N
MW252.23 g/mol
LogP-1.56
Rot. Bonds2

About (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol (PubChem CID 46875006) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol
PubChem CID46875006
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol
SMILESOC[C@H]1OC(n2ncc3cncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N4O4/c15-3-6-7(16)8(17)10(18-6)14-9-5(2-13-14)1-11-4-12-9/h1-2,4,6-8,10,15-17H,3H2/t6-,7-,8-,10?/m1/s1
InChIKeyFZGIESUOSIXWOH-JSDYZDKHSA-N
XLogP-1.56
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol (CID 46875006) is (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol is OC[C@H]1OC(n2ncc3cncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol?
The InChIKey is FZGIESUOSIXWOH-JSDYZDKHSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-3-6-7(16)8(17)10(18-6)14-9-5(2-13-14)1-11-4-12-9/h1-2,4,6-8,10,15-17H,3H2/t6-,7-,8-,10?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol has a molecular weight of 252.23 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrazolo[3,4-d]pyrimidin-1-yloxolane-3,4-diol is sourced from PubChem (CID 46875006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).