(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol

C11H18N6O4 — CID 168757086

IUPAC(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
SMILESCO[C@H](CO)[C@@H](OCCO)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H18N6O4/c1-20-6(4-19)10(21-3-2-18)17-5-14-7-8(12)15-11(13)16-9(7)17/h5-6,10,18-19H,2-4H2,1H3,(H4,12,13,15,16)/t6-,10-/m1/s1
InChIKeyJHYWIUYSLGETQF-LHLIQPBNSA-N
MW298.30 g/mol
LogP-1.49
Rot. Bonds7

About (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol

(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol (PubChem CID 168757086) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
PubChem CID168757086
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
SMILESCO[C@H](CO)[C@@H](OCCO)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C11H18N6O4/c1-20-6(4-19)10(21-3-2-18)17-5-14-7-8(12)15-11(13)16-9(7)17/h5-6,10,18-19H,2-4H2,1H3,(H4,12,13,15,16)/t6-,10-/m1/s1
InChIKeyJHYWIUYSLGETQF-LHLIQPBNSA-N
XLogP-1.49
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol?
The IUPAC name of (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol (CID 168757086) is (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol.
What is the SMILES notation for (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol?
The canonical SMILES for (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol is CO[C@H](CO)[C@@H](OCCO)n1cnc2c(N)nc(N)nc21.
What is the InChIKey of (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol?
The InChIKey is JHYWIUYSLGETQF-LHLIQPBNSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-20-6(4-19)10(21-3-2-18)17-5-14-7-8(12)15-11(13)16-9(7)17/h5-6,10,18-19H,2-4H2,1H3,(H4,12,13,15,16)/t6-,10-/m1/s1.
What are the key properties of (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol?
(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol has a molecular weight of 298.30 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol is sourced from PubChem (CID 168757086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).